Showing 1–50 of 72 results for author: Jin, Z

Superconductivity suppression and bilayer decoupling in Pr substituted YBa$_2$Cu$_3$O$_{7-δ}$

Authors: Jinming Yang, Zheting Jin, Siqi Wang, Camilla Moir, Mingyu Xu, Brandon Gunn, Xian Du, Zhibo Kang, Keke Feng, Makoto Hashimoto, Donghui Lu, Jessica McChesney, Martin Sundermann, Hlynur Gretarsson, Shize Yang, Wei-Wei Xie, Alex Frano, Sohrab Ismail-Beigi, M. Brian Maple, Yu He

Abstract: The mechanism behind superconductivity suppression induced by Pr substitutions in YBa$_2$Cu$_3$O$_{7-δ}$ (YBCO) has been a mystery since its discovery: in spite of being isovalent to Y$^{3+}$ with a small magnetic moment, it is the only rare-earth element that has a dramatic impact on YBCO's superconducting properties. Using angle-resolved photoemission spectroscopy (ARPES) and DFT+$U$ calculation… ▽ More The mechanism behind superconductivity suppression induced by Pr substitutions in YBa$_2$Cu$_3$O$_{7-δ}$ (YBCO) has been a mystery since its discovery: in spite of being isovalent to Y$^{3+}$ with a small magnetic moment, it is the only rare-earth element that has a dramatic impact on YBCO's superconducting properties. Using angle-resolved photoemission spectroscopy (ARPES) and DFT+$U$ calculations, we uncover how Pr substitution modifies the low-energy electronic structure of YBCO. Contrary to the prevailing Fehrenbacher-Rice (FR) and Liechtenstein-Mazin (LM) models, the low energy electronic structure contains no signature of any $f$-electron hybridization or new states. Yet, strong electron doping is observed primarily on the antibonding Fermi surface. Meanwhile, we reveal major electronic structure modifications to Cu-derived states with increasing Pr substitution: a pronounced CuO$_2$ bilayer decoupling and an enhanced CuO chain hopping, implying indirect electron-release pathways beyond simple 4$f$ state ionization. Our results challenge the long-standing FR/LM mechanism and establish Pr substituted YBCO as a potential platform for exploring correlation-driven phenomena in coupled 1D-2D systems. △ Less

Submitted 19 December, 2025; v1 submitted 16 October, 2025; originally announced October 2025.

Topological Magnon Frequency Combs

Authors: Zhixiong Li, Xuejuan Liu, Zhejunyu Jin, Guanghua Guo, Xingen Zheng, Peng Yan

Abstract: Exploring the synergy between topological physics and nonlinear dynamics unveils profound insights into emergent states of matter. Inspired by recent experimental demonstrations of topological frequency combs in photonics, we theoretically introduce topological magnon frequency combs (MFCs) in a two-dimensional triangular skyrmion lattice. Computing the Chern numbers of magnon bands reveals robust… ▽ More Exploring the synergy between topological physics and nonlinear dynamics unveils profound insights into emergent states of matter. Inspired by recent experimental demonstrations of topological frequency combs in photonics, we theoretically introduce topological magnon frequency combs (MFCs) in a two-dimensional triangular skyrmion lattice. Computing the Chern numbers of magnon bands reveals robust chiral edge states. Strikingly, these topological MFCs originate from nonlinear four-magnon scattering among the chiral edge modes, activated by dual-frequency driving without an amplitude threshold. Comb spacings are readily tunable through excitation frequency detuning. Micromagnetic simulations validate our predictions with good concordance. This work paves the way for defect-immune magnonic devices exploiting MFCs and sparks investigations into topological-nonlinear phenomena in magnetic systems. △ Less

Submitted 29 August, 2025; originally announced August 2025.

Comments: 6 pages, 4 figures

Re-entrant unconventional superconductivity induced by rare-earth substitution in Nd1-xEuxNiO2 thin films

Authors: Dung Vu, Hangoo Lee, Daniele Nicoletti, Wenzheng Wei, Zheting Jin, Dmitry V. Chichinadze, Michele Buzzi, Wenxin Li, Xinhao Yang, Rongting Wu, Christopher A. Mizzi, Tiema Qian, Boris Maiorov, Alexey Suslov, Yu He, Cyprian Lewandowski, Sohrab Ismail-Beigi, Frederick Walker, Andrea Cavalleri, Charles Ahn

Abstract: High temperature superconductivity is typically associated with strong coupling and a large superconducting gap, yet these characteristics have not been demonstrated in the nickelates. Here, we provide experimental evidence that Eu substitution in the spacer layer of Nd1-xEuxNiO2 (NENO) thin films enhances the superconducting gap, driving the system toward a strong-coupling regime. This is accompa… ▽ More High temperature superconductivity is typically associated with strong coupling and a large superconducting gap, yet these characteristics have not been demonstrated in the nickelates. Here, we provide experimental evidence that Eu substitution in the spacer layer of Nd1-xEuxNiO2 (NENO) thin films enhances the superconducting gap, driving the system toward a strong-coupling regime. This is accompanied by a magnetic-exchange-driven magnetic-field-enhanced superconductivity. We investigate the upper critical magnetic field, Hc2, and superconducting gap of superconducting NENO thin films with x=0.2 to 0.35. Magnetoresistance measurements reveal magnetic-field-enhanced superconductivity in NENO films. We interpret this phenomenon as a result of interaction between magnetic Eu ions and superconducting states in the Ni dx2-y2 orbital. The upper critical magnetic field strongly violates the weak-coupling Pauli limit. Infrared spectroscopy confirms a large gap-to-Tc ratio $2 Δk_B T_c \approx 5 - 6$, indicating a stronger coupling pairing mechanism in NENO relative to the Sr-doped NdNiO2. The substitution of Eu in the rare-earth layer provides a method to modify the superconducting gap in Nd-based nickelates, an essential factor in engineering high-Tc superconductivity in infinite-layer nickelates. △ Less

Submitted 20 November, 2025; v1 submitted 21 August, 2025; originally announced August 2025.

Comments: Under Review & Revision

Interaction-Driven Altermagnetic Magnon Chiral Splitting

Authors: Zhejunyu Jin, Zhaozhuo Zeng, Jie Liu, Tianci Gong, Ying Su, Kai Chang, Peng Yan

Abstract: Nonrelativistic magnon chiral splitting in altermagnets has garnered significant recent attention. In this work, we demonstrate that nonlinear three-wave mixing -- where magnons split or coalesce -- extends this phenomenon into unprecedented relativistic regimes. Employing a bilayer antiferromagnet with Dzyaloshinskii-Moriya interactions, we identify three distinct classes of chiral splitting, eac… ▽ More Nonrelativistic magnon chiral splitting in altermagnets has garnered significant recent attention. In this work, we demonstrate that nonlinear three-wave mixing -- where magnons split or coalesce -- extends this phenomenon into unprecedented relativistic regimes. Employing a bilayer antiferromagnet with Dzyaloshinskii-Moriya interactions, we identify three distinct classes of chiral splitting, each dictated by specific symmetries, such as $C_4T$, $σ_v T$, or their combination. This reveals a novel bosonic mechanism for symmetry-protected chiral splitting, capitalizing on the unique ability of magnons to violate particle-number conservation, a feature absent in low-energy fermionic systems. Our findings pave the way for engineering altermagnetic splitting, with potential applications in advanced magnonic devices and deeper insights into magnon dynamics in complex magnetic systems. △ Less

Submitted 29 July, 2025; originally announced July 2025.

Comments: 6 pages, 2 figures

Dopant-induced stabilization of three-dimensional charge order in cuprates

Authors: Zheting Jin, Sohrab Ismail-Beigi

Abstract: We investigate the microscopic mechanisms behind the stabilization of three-dimensional (3D) charge order by Pr doping in YBa$_2$Cu$_3$O$_7$ (YBCO7). Density-functional-theory calculations locate the lowest-energy Pr superlattices for both Ba- and Y-site substitution. In the Ba-site case, the smaller Pr ion pulls the surrounding atoms inward. This breathing-mode distortion pins charge-stripe walls… ▽ More We investigate the microscopic mechanisms behind the stabilization of three-dimensional (3D) charge order by Pr doping in YBa$_2$Cu$_3$O$_7$ (YBCO7). Density-functional-theory calculations locate the lowest-energy Pr superlattices for both Ba- and Y-site substitution. In the Ba-site case, the smaller Pr ion pulls the surrounding atoms inward. This breathing-mode distortion pins charge-stripe walls to the Pr columns and forces them to align along the $c$ axis. Y-site Pr is larger than the host ion, produces an outward distortion, and fails to pin the stripes. Coarse-grained Monte-Carlo simulations show that the stripe correlation length rises in step with the structural correlation length of the Pr dopant as observed in prior experiments. We thus identify dopant-induced lattice pinning as the key mechanism behind 3D charge order in Pr-doped YBCO7. This approach provides quantitative guidelines for engineering electronic orders through targeted ionic substitution. △ Less

Submitted 22 July, 2025; originally announced July 2025.

Comments: 16 pages, 14 figures

Frequency comb in twisted magnonic crystals

Authors: Minghao Li, Zhejunyu Jin, Zhaozhuo Zeng, Peng Yan

Abstract: While twisted magnonic crystals (MCs) have recently gained attention for their intriguing linear phenomena, such as magnon flat bands, their nonlinear dynamics -- particularly the generation of magnonic frequency combs (MFCs) -- have remained largely unexplored. In this work, we demonstrate the creation of MFCs in twisted MCs using two-tone microwave excitation. We find that finite twist angles si… ▽ More While twisted magnonic crystals (MCs) have recently gained attention for their intriguing linear phenomena, such as magnon flat bands, their nonlinear dynamics -- particularly the generation of magnonic frequency combs (MFCs) -- have remained largely unexplored. In this work, we demonstrate the creation of MFCs in twisted MCs using two-tone microwave excitation. We find that finite twist angles significantly enhance three-magnon interactions, driven by the non-collinear ground-state magnetic configuration induced by interlayer dipole-dipole interactions. The number of comb teeth exhibits a plateau-like dependence on the twist angle, with the plateau's width and height saturating as the excitation frequency of the propagating magnon mode increases. This behavior reveals an optimal range of twist angles and frequencies for achieving high-quality MFCs with a large number of comb teeth. Our findings deepen the understanding of nonlinear interactions in twisted MCs and highlight their potential for advancing moiré-based materials in information processing and high-precision metrology. △ Less

Submitted 14 July, 2025; originally announced July 2025.

Comments: 10 pages, 9 figures

TopoMAS: Large Language Model Driven Topological Materials Multiagent System

Authors: Baohua Zhang, Xin Li, Huangchao Xu, Zhong Jin, Quansheng Wu, Ce Li

Abstract: Topological materials occupy a frontier in condensed-matter physics thanks to their remarkable electronic and quantum properties, yet their cross-scale design remains bottlenecked by inefficient discovery workflows. Here, we introduce TopoMAS (Topological materials Multi-Agent System), an interactive human-AI framework that seamlessly orchestrates the entire materials-discovery pipeline: from user… ▽ More Topological materials occupy a frontier in condensed-matter physics thanks to their remarkable electronic and quantum properties, yet their cross-scale design remains bottlenecked by inefficient discovery workflows. Here, we introduce TopoMAS (Topological materials Multi-Agent System), an interactive human-AI framework that seamlessly orchestrates the entire materials-discovery pipeline: from user-defined queries and multi-source data retrieval, through theoretical inference and crystal-structure generation, to first-principles validation. Crucially, TopoMAS closes the loop by autonomously integrating computational outcomes into a dynamic knowledge graph, enabling continuous knowledge refinement. In collaboration with human experts, it has already guided the identification of novel topological phases SrSbO3, confirmed by first-principles calculations. Comprehensive benchmarks demonstrate robust adaptability across base Large Language Model, with the lightweight Qwen2.5-72B model achieving 94.55% accuracy while consuming only 74.3-78.4% of tokens required by Qwen3-235B and 83.0% of DeepSeek-V3's usage--delivering responses twice as fast as Qwen3-235B. This efficiency establishes TopoMAS as an accelerator for computation-driven discovery pipelines. By harmonizing rational agent orchestration with a self-evolving knowledge graph, our framework not only delivers immediate advances in topological materials but also establishes a transferable, extensible paradigm for materials-science domain. △ Less

Submitted 5 July, 2025; originally announced July 2025.

Comments: 13 pages,7 figures,3 tables

Magnon-Driven Phononic Frequency Comb in Linear Elastic Media

Authors: Ziyang Yu, Zhejunyu Jin, Qianjun Zheng, Peng Yan

Abstract: Phononic frequency combs (PFCs) typically require nonlinear elastic media, limiting their frequency range and stability. Here, we propose a transformative approach to generate PFCs in purely linear elastic media by harnessing the magnon nonlinearities, offering a new paradigm for frequency comb physics. By tuning the magnon-phonon coupling confined in a magnetic disk of a vortex state into the str… ▽ More Phononic frequency combs (PFCs) typically require nonlinear elastic media, limiting their frequency range and stability. Here, we propose a transformative approach to generate PFCs in purely linear elastic media by harnessing the magnon nonlinearities, offering a new paradigm for frequency comb physics. By tuning the magnon-phonon coupling confined in a magnetic disk of a vortex state into the strong coupling regime, we demonstrate an efficient nonlinearity transfer from magnons to phonons. This mechanism is able to produce GHz-range PFCs with comb spacing set by the vortex core's gyration frequency. Full micromagnetic simulations verify our theoretical predictions, confirming robust comb formation at 3.5 GHz with 0.4 GHz spacing. This approach overcomes the sub-MHz constraints of conventional PFCs, enabling applications in high-precision metrology, nanoscale sensing, and quantum technologies. Our findings also deepen the understanding of the nonlinear dynamics in hybrid magnon-phonon systems and provide a versatile platform for exploring frequency combs in diverse physical systems. △ Less

Submitted 26 May, 2025; originally announced May 2025.

Strong coupling of chiral magnons in altermagnets

Authors: Zhejunyu Jin, Tianci Gong, Jie Liu, Huanhuan Yang, Zhaozhuo Zeng, Yunshan Cao, Peng Yan

Abstract: Altermagnets recently are identified as a new class of magnets that break the time-reversal symmetry without exhibiting net magnetization. The role of the dipole-dipole interaction (DDI) on their dynamical properties however is yet to be addressed. In this work, we show that the DDI can induce the strong coupling between exchange magnons with opposite chiralities in altermagnets, manifesting as a… ▽ More Altermagnets recently are identified as a new class of magnets that break the time-reversal symmetry without exhibiting net magnetization. The role of the dipole-dipole interaction (DDI) on their dynamical properties however is yet to be addressed. In this work, we show that the DDI can induce the strong coupling between exchange magnons with opposite chiralities in altermagnets, manifesting as a significant level repulsion in the magnon spectrum. Crucially, the predicted magnon-magnon coupling is highly anisotropic, and observable in practical experiments. These exotic features are absent in conventional antiferromagnets. Our findings open a new pathway for quantum magnonic information processing based on altermagnetism. △ Less

Submitted 24 May, 2025; originally announced May 2025.

Comments: 6 pages, 5 figures

ABACUS: An Electronic Structure Analysis Package for the AI Era

Authors: Weiqing Zhou, Daye Zheng, Qianrui Liu, Denghui Lu, Yu Liu, Peize Lin, Yike Huang, Xingliang Peng, Jie J. Bao, Chun Cai, Zuxin Jin, Jing Wu, Haochong Zhang, Gan Jin, Yuyang Ji, Zhenxiong Shen, Xiaohui Liu, Liang Sun, Yu Cao, Menglin Sun, Jianchuan Liu, Tao Chen, Renxi Liu, Yuanbo Li, Haozhi Han , et al. (33 additional authors not shown)

Abstract: ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It mainly features density functional theory (DFT) and molecular dynamics functions and is compatible with both plane-wave basis sets and numerical atomic orbital basis sets. ABACUS serves as a platform that facilitates th… ▽ More ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It mainly features density functional theory (DFT) and molecular dynamics functions and is compatible with both plane-wave basis sets and numerical atomic orbital basis sets. ABACUS serves as a platform that facilitates the integration of various electronic structure methods, such as Kohn-Sham DFT, stochastic DFT, orbital-free DFT, and real-time time-dependent DFT, etc. In addition, with the aid of high-performance computing, ABACUS is designed to perform efficiently and provide massive amounts of first-principles data for generating general-purpose machine learning potentials, such as DPA models. Furthermore, ABACUS serves as an electronic structure platform that interfaces with several AI-assisted algorithms and packages, such as DeePKS-kit, DeePMD, DP-GEN, DeepH, DeePTB, HamGNN, etc. △ Less

Submitted 22 October, 2025; v1 submitted 15 January, 2025; originally announced January 2025.

Interlayer couplings in cuprates: structural origins, analytical forms, and structural estimators

Authors: Zheting Jin, Sohrab Ismail-Beigi

Abstract: We quantitatively identify the multiple distinct microscopic mechanisms contributing to effective interlayer couplings (EICs) by performing first-principle calculations for two prototype superconducting cuprate families, pristine and doped Bi$_2$Sr$_2$CaCuO$_2$O$_{8+x}$ and Pr$_{x}$Y$_{1-x}$Ba$_2$Cu$_3$O$_7$. The major mechanisms are mediated by interlayer oxygen $p_σ$-$p_σ$ and $p_z$-$p_z$ hoppin… ▽ More We quantitatively identify the multiple distinct microscopic mechanisms contributing to effective interlayer couplings (EICs) by performing first-principle calculations for two prototype superconducting cuprate families, pristine and doped Bi$_2$Sr$_2$CaCuO$_2$O$_{8+x}$ and Pr$_{x}$Y$_{1-x}$Ba$_2$Cu$_3$O$_7$. The major mechanisms are mediated by interlayer oxygen $p_σ$-$p_σ$ and $p_z$-$p_z$ hoppings as well as interlayer copper $d_{z^2}$-oxygen $p_σ$ hoppings. Furthermore, we show how EICs are closely related to structural distortions such as layer bucklings and bond length changes. This allows us to provide analytical formulae that permit direct estimation of the key interatomic hoppings and the EICs based only on the crystal structure. Finally, we benchmark our method on YBa$_2$Cu$_3$O$_7$ to estimate the strength and anisotropy of the EIC. △ Less

Submitted 27 November, 2024; originally announced November 2024.

Comments: 17 pages, 12 figures

Journal ref: Phys. Rev. B 111, 165103 (2025)

Formation mechanisms and fluorescence properties of carbon dots in coal burning dust from coal fired power plants

Authors: Zhexian Zhao, Weizuo Zhang, Jin Zhang, Yuzhao Li, Han Bai, Fangming Zhao, Zhongcai Jin, Ju Tang, Yiming Xiao, Wen Xu, Yanfei Lü

Abstract: Carbon dots (CDs) shows great application potential with their unique and excellent performances. Coal and its derivatives are rich in aromatic ring structure, which is suitable for preparing CDs in microstructure. Coal burning dust from coal-fired power plants can be utilized as a rich resource to separate and extract CDs. It has been shown in our results that there have two main possible mechani… ▽ More Carbon dots (CDs) shows great application potential with their unique and excellent performances. Coal and its derivatives are rich in aromatic ring structure, which is suitable for preparing CDs in microstructure. Coal burning dust from coal-fired power plants can be utilized as a rich resource to separate and extract CDs. It has been shown in our results that there have two main possible mechanisms for the formation of CDs in coal burning dust. One is the self-assembly of polycyclic aromatic hydrocarbons contained in coal or produced by incomplete combustion of coal. The other mechanism is that the bridge bonds linking different aromatic structures in coal are breaking which would form CDs with different functional groups when the coals are burning at high temperature. Under violet light excitation at 310-340 nm or red light at 610-640 nm, CDs extracted from coal burning dust can emit purple fluorescence around 410 nm. The mechanism of up-conversion fluorescence emission of CDs is due to a two-photon absorption process. The recycling of CDs from coal burning dust from coal-fired power plants are not only good to protect environment but also would be helpful for mass production of CDs. △ Less

Submitted 2 November, 2024; originally announced November 2024.

Journal ref: Advanced Photonics Research 5(10), 2400010 (2024)

Highly coherent grain boundaries induced by local pseudo-mirror symmetry in $β$-Ga2O3

Authors: Yuchao Yan, Yingying Liu, Ziyi Wang, Da Liu, Xu Gao, Yan Wang, Cheng Li, KeKe Ma, Ning Xia, Zhu Jin, Tianqi Deng, Hui Zhang, Deren Yang

Abstract: Grain boundaries have extensive influence on the performance of crystal materials. However, the atomic-scale structure and its relation with local and crystallographic symmetries remain elusive in low-symmetry crystals. Herein, we find that the local pseudo-mirror-symmetric atomic layer is the common physical origin of a series of highly coherent grain boundaries in the low-symmetry $β$-Ga2O3 crys… ▽ More Grain boundaries have extensive influence on the performance of crystal materials. However, the atomic-scale structure and its relation with local and crystallographic symmetries remain elusive in low-symmetry crystals. Herein, we find that the local pseudo-mirror-symmetric atomic layer is the common physical origin of a series of highly coherent grain boundaries in the low-symmetry $β$-Ga2O3 crystal. These include the (100) twin boundary and an emerging series of $(h-1'0'2)/(h+1'0'\bar{2})$ coherent asymmetric grain boundaries (CAGBs). Owing to the local pseudo-mirror symmetry and the special geometric relation of the $β$-Ga2O3 conventional cell, these CAGBs place 80% of the boundary atoms in pseudo-coincident sites, exhibiting high coherence under the coincident-site lattice model. With a combination of density functional theory calculations, Czochralski growth experiment, and atomic-scale characterizations, the structure and stability of the $(002)/(20\bar{2})$-A CAGB are confirmed, with a boundary energy density as low as 0.36 J/m2. This CAGB is responsible for the spontaneous formation of a twinned defect facet at the surface steps during the epitaxy growth of $β$-Ga2O3, warranting a substrate orientation selection rule for $β$-Ga2O3. Through this study, we provide insights into the grain boundary physics in the low-symmetry $β$-Ga2O3 crystal while emphasizing the importance of the local pseudo-symmetries in the low-symmetry crystals. △ Less

Submitted 22 September, 2024; originally announced September 2024.

Enhancing Large Language Models with Domain-Specific Knowledge: The Case in Topological Materials

Authors: HuangChao Xu, Baohua Zhang, Zhong Jin, Tiannian Zhu, Quansheng Wu, Hongming Weng

Abstract: Large language models (LLMs), such as ChatGPT, have demonstrated impressive performance in the text generation task, showing the ability to understand and respond to complex instructions. However, the performance of naive LLMs in speciffc domains is limited due to the scarcity of domain-speciffc corpora and specialized training. Moreover, training a specialized large-scale model necessitates signi… ▽ More Large language models (LLMs), such as ChatGPT, have demonstrated impressive performance in the text generation task, showing the ability to understand and respond to complex instructions. However, the performance of naive LLMs in speciffc domains is limited due to the scarcity of domain-speciffc corpora and specialized training. Moreover, training a specialized large-scale model necessitates signiffcant hardware resources, which restricts researchers from leveraging such models to drive advances. Hence, it is crucial to further improve and optimize LLMs to meet speciffc domain demands and enhance their scalability. Based on the condensed matter data center, we establish a material knowledge graph (MaterialsKG) and integrate it with literature. Using large language models and prompt learning, we develop a specialized dialogue system for topological materials called TopoChat. Compared to naive LLMs, TopoChat exhibits superior performance in structural and property querying, material recommendation, and complex relational reasoning. This system enables efffcient and precise retrieval of information and facilitates knowledge interaction, thereby encouraging the advancement on the ffeld of condensed matter materials. △ Less

Submitted 24 December, 2024; v1 submitted 10 September, 2024; originally announced September 2024.

Low-lying magnon frequency comb in skymion crystals

Authors: Xuejuan Liu, Zhejunyu Jin, Zhengyi Li, Zhaozhuo Zeng, Minghao Li, Yuping Yao, Yunshan Cao, Yinghui Zhang, Peng Yan

Abstract: A stable, low-power and tunable magnon frequency comb (MFC) is crucial for magnon-based precision measurements, quantum information processing and chip integration. Original method for creating MFC utilizes the nonlinear interactions between propagating spin waves and localized oscillations of an isolated magnetic texture, e.g., skyrmion. It requires a driving frequency well above the ferromagneti… ▽ More A stable, low-power and tunable magnon frequency comb (MFC) is crucial for magnon-based precision measurements, quantum information processing and chip integration. Original method for creating MFC utilizes the nonlinear interactions between propagating spin waves and localized oscillations of an isolated magnetic texture, e.g., skyrmion. It requires a driving frequency well above the ferromagnetic resonance (FMR) and the spectrum frequency of MFC will quickly approach to the detection limit of conventional microwave technique after only tens of comb teeth. In addition, the detection and manipulation of a single skyrmion is challenging in experiments due to its high degree of locality. These issues hinder the applications of MFC. In this work, we report the low-lying MFC with comb frequencies below the FMR in a skyrmion crystal (SkX). We show that the MFC originates from the three-wave mixing between the collective skyrmion gyration and breathing in the SkX. Our findings significantly improve the efficiency of the nonlinear frequency conversion from a single-frequency mircowave input, and establish a synergistic relationship between the SkX and MFC, which paves the way to coherent information processing and ultra-sensitive metrology based on MFC. △ Less

Submitted 6 August, 2024; originally announced August 2024.

Enhanced Radiation Hardness of InAs/GaAs Quantum Dot Lasers for Space Communication

Authors: Manyang Li, Jianan Duan, Zhiyong Jin, Shujie Pan, Wenkang Zhan, Jinpeng Chen, Jinling Yu, Xiaotian Cheng, Zhibo Ni, Chaoyuan Jin, Tien Khee Ng, Jinxia Kong, Xiaochuan Xu, Yong Yao, Bo Xu, Siming Chen, Zhanguo Wang, Chao Zhao

Abstract: Semiconductor lasers have great potential for space laser communication. However, excessive radiation in space can cause laser failure. In principle, quantum dot (QD) lasers are more radiation-resistant than traditional semiconductor lasers because of their superior carrier confinement and smaller active regions. However, the multifaceted nature of radiation effects on QDs resulted in ongoing cont… ▽ More Semiconductor lasers have great potential for space laser communication. However, excessive radiation in space can cause laser failure. In principle, quantum dot (QD) lasers are more radiation-resistant than traditional semiconductor lasers because of their superior carrier confinement and smaller active regions. However, the multifaceted nature of radiation effects on QDs resulted in ongoing controversies. Comprehensive testing under simulated space conditions is also necessary to validate their performance. In this work, we conducted radiation tests on various In(Ga)As/GaAs QD and quantum well (QW) materials and devices. Our results revealed that InAs/GaAs QDs with filling factors greater than 50% exhibit greater radiation hardness than those below 50%. Furthermore, most InAs/GaAs QDs showed superior radiation resistance compared to InGaAs/GaAs QW when exposed to low proton fluences of 1E11 and 1E12 cm-2, resulting from radiation-induced defects. The linewidth enhancement factor (LEF) of well-designed QD lasers remains remarkably stable and close to zero, even under proton irradiation at a maximum fluence of 7E13 cm-2, owing to their inherent insensitivity to irradiation-induced defects. These QD lasers demonstrate an exceptional average relative intensity noise (RIN) level of -162 dB/Hz, with only a 1 dB/Hz increase in RIN observed at the highest fluence, indicating outstanding stability. Furthermore, the lasers exhibit remarkable robustness against optical feedback, sustaining stable performance even under a feedback strength as high as -3.1 dB. These results highlight the significant potential of QD lasers for space laser communication applications, where high reliability and resilience to radiation and environmental perturbations are critical. △ Less

Submitted 26 December, 2024; v1 submitted 30 July, 2024; originally announced July 2024.

Comments: 5 figures

Skyrmion Hall effect in altermagnets

Authors: Zhejunyu Jin, Zhaozhuo Zeng, Yunshan Cao, Peng Yan

Abstract: It is widely believed that the skyrmion Hall effect is absent in antiferromagnets because of the vanishing topological charge. However, the Aharonov-Casher theory indicates the possibility of topological effects for neutral particles. In this work, we predict the skyrmion Hall effect in emerging altermagnets with zero net magnetization and zero skyrmion charge. We first show that the neutral skyrm… ▽ More It is widely believed that the skyrmion Hall effect is absent in antiferromagnets because of the vanishing topological charge. However, the Aharonov-Casher theory indicates the possibility of topological effects for neutral particles. In this work, we predict the skyrmion Hall effect in emerging altermagnets with zero net magnetization and zero skyrmion charge. We first show that the neutral skyrmion manifests as a magnetic quadrupole in altermagnets. We reveal a hidden gauge field from the magnetic quadrupole, which induces the skyrmion Hall effect when driven by spin transfer torque. Interestingly, we identify a sign change of the Hall angle when one swaps the anisotropic exchange couplings in altermagnets. Furthermore, we demonstrate that both the velocity and Hall angle of altermagnetic skyrmions sensitively depend on the current direction. Our findings real the critical role of magnetic quadrupole in driving the skyrmion Hall effect with vanishing charge, and pave the way to discovering new Hall effect of neutral quasiparticles beyond magnetic skyrmions. △ Less

Submitted 4 July, 2024; originally announced July 2024.

Comments: 6 pages and 5 figures

A cyclical route linking fundamental mechanism and AI algorithm: An example from tuning Poisson's ratio in amorphous networks

Authors: Changliang Zhu, Chenchao Fang, Zhipeng Jin, Baowen Li, Xiangying Shen, Lei Xu

Abstract: "AI for science" is widely recognized as a future trend in the development of scientific research. Currently, although machine learning algorithms have played a crucial role in scientific research with numerous successful cases, relatively few instances exist where AI assists researchers in uncovering the underlying physical mechanisms behind a certain phenomenon and subsequently using that mechan… ▽ More "AI for science" is widely recognized as a future trend in the development of scientific research. Currently, although machine learning algorithms have played a crucial role in scientific research with numerous successful cases, relatively few instances exist where AI assists researchers in uncovering the underlying physical mechanisms behind a certain phenomenon and subsequently using that mechanism to improve machine learning algorithms' efficiency. This article uses the investigation into the relationship between extreme Poisson's ratio values and the structure of amorphous networks as a case study to illustrate how machine learning methods can assist in revealing underlying physical mechanisms. Upon recognizing that the Poisson's ratio relies on the low-frequency vibrational modes of dynamical matrix, we can then employ a convolutional neural network, trained on the dynamical matrix instead of traditional image recognition, to predict the Poisson's ratio of amorphous networks with a much higher efficiency. Through this example, we aim to showcase the role that artificial intelligence can play in revealing fundamental physical mechanisms, which subsequently improves the machine learning algorithms significantly. △ Less

Submitted 9 July, 2024; v1 submitted 6 December, 2023; originally announced December 2023.

Comments: 15 pages, 5 figures

Defect-induced helicity-dependent terahertz emission in Dirac semimetal PtTe2 thin films

Authors: Zhongqiang Chen, Hongsong Qiu, Xinjuan Cheng, Jizhe Cui, Zuanming Jin, Da Tian, Xu Zhang, Kankan Xu, Ruxin Liu, Wei Niu, Liqi Zhou, Tianyu Qiu, Yequan Chen, Caihong Zhang, Xiaoxiang Xi, Fengqi Song, Rong Yu, Xuechao Zhai, Biaobing Jin, Rong Zhang, Xuefeng Wang

Abstract: Nonlinear transport enabled by symmetry breaking in quantum materials has aroused considerable interest in condensed matter physics and interdisciplinary electronics. However, the nonlinear optical response in centrosymmetric Dirac semimetals via the defect engineering has remained highly challenging. Here, we observe the helicity-dependent terahertz (THz) emission in Dirac semimetal PtTe2 thin fi… ▽ More Nonlinear transport enabled by symmetry breaking in quantum materials has aroused considerable interest in condensed matter physics and interdisciplinary electronics. However, the nonlinear optical response in centrosymmetric Dirac semimetals via the defect engineering has remained highly challenging. Here, we observe the helicity-dependent terahertz (THz) emission in Dirac semimetal PtTe2 thin films via circular photogalvanic effect (CPGE) under normal incidence. This is activated by artificially controllable out-of-plane Te-vacancy defect gradient, which is unambiguously evidenced by the electron ptychography. The defect gradient lowers the symmetry, which not only induces the band spin splitting, but also generates the giant Berry curvature dipole (BCD) responsible for the CPGE. Such BCD-induced helicity-dependent THz emission can be manipulated by the Te-vacancy defect concentration. Furthermore, temperature evolution of the THz emission features the minimum of the THz amplitude due to the carrier compensation. Our work provides a universal strategy for symmetry breaking in centrosymmetric Dirac materials for efficient nonlinear transport and facilitates the promising device applications in integrated optoelectronics and spintronics. △ Less

Submitted 1 March, 2024; v1 submitted 15 October, 2023; originally announced October 2023.

Comments: 27 pages, 5 figures

Journal ref: Nature Communications (2024)

Terahertz magnon frequency comb

Authors: Xianglong Yao, Zhejunyu Jin, Zhenyu Wang, Zhaozhuo Zeng, Peng Yan

Abstract: Magnon frequency comb (MFC), the spin-wave spectra composing of equidistant coherent peaks, is attracting much attention in magnonics. A terahertz (THz) MFC, combining the advantages of the THz and MFC technologies, is highly desired because it would significantly advance the MFC applications in ultrafast magnonic metrology, sensing, and communications. Here, we show that the THz MFC can be genera… ▽ More Magnon frequency comb (MFC), the spin-wave spectra composing of equidistant coherent peaks, is attracting much attention in magnonics. A terahertz (THz) MFC, combining the advantages of the THz and MFC technologies, is highly desired because it would significantly advance the MFC applications in ultrafast magnonic metrology, sensing, and communications. Here, we show that the THz MFC can be generated by nonlinear interactions between spin waves and skyrmions in antiferromagnets [Z. Jin \emph{et al}., \href{https://doi.org/10.48550/arXiv.2301.03211}{arXiv:2301.03211}]. It is found that the strength of the three-wave mixing between propagating magnons and breathing skyrmions follows a linear dependence on the driving frequency and the MFC signal can be observed over a broad driving frequency range. Our results extend the working frequency of MFC to the THz regime, which would have potential applications in ultrafast spintronic devices and promote the development of nonlinear magnonics in antiferromagnets. △ Less

Submitted 18 September, 2023; originally announced September 2023.

Comments: 6 pages, 6 figures

First principle prediction of structural distortions in the cuprates and their impact on the electronic structure

Authors: Zheting Jin, Sohrab Ismail-Beigi

Abstract: Materials-realistic microscopic theoretical descriptions of copper-based superconductors are challenging due to their complex crystal structures combined with strong electron interactions. Here, we demonstrate how density functional theory can accurately describe key structural, electronic, and magnetic properties of the normal state of the prototypical cuprate Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$ (Bi-22… ▽ More Materials-realistic microscopic theoretical descriptions of copper-based superconductors are challenging due to their complex crystal structures combined with strong electron interactions. Here, we demonstrate how density functional theory can accurately describe key structural, electronic, and magnetic properties of the normal state of the prototypical cuprate Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$ (Bi-2212). We emphasize the importance of accounting for energy-lowering structural distortions, which then allows us to: (a) accurately describe the insulating antiferromagnetic (AFM) ground state of the undoped parent compound (in contrast to the metallic state predicted by previous {\it ab initio} studies); (b) identify numerous low-energy competing spin and charge stripe orders in the hole-overdoped material nearly degenerate in energy with the AFM ordered state, indicating strong spin fluctuations; (c) predict the lowest-energy hole-doped crystal structure including its long-range structural distortions and oxygen dopant positions that match high-resolution scanning transmission electron microscopy (STEM) measurements; and (d) describe electronic bands near the Fermi energy with flat antinodal dispersions and Fermi surfaces that in agreement with angle-resolved photoemission spectroscopy (ARPES) measurements and provide a clear explanation for the structural origins of the so-called ``shadow bands''. We also show how one must go beyond band theory and include fully dynamic spin fluctuations via a many-body approach when aiming to make quantitative predictions to measure the ARPES spectra in the overdoped material. Finally, regarding spatial inhomogeneity, we show that the local structure at the CuO$_2$ layer, rather than dopant electrostatic effects, modulates the local charge-transfer gaps, local correlation strengths, and by extension the local superconducting gaps. △ Less

Submitted 1 November, 2024; v1 submitted 14 September, 2023; originally announced September 2023.

Comments: This work is in press at Physical Review X (as of fall 2024). Supplementary material is attached in supp.pdf. Main article 25 pages, 17 figures

Journal ref: Phys. Rev. X 14, 041053 (2024)

Quantum geometry quadrupole-induced third-order nonlinear transport in antiferromagnetic topological insulator MnBi2Te4

Authors: Hui Li, Chengping Zhang, Chengjie Zhou, Chen Ma, Xiao Lei, Zijing Jin, Hongtao He, Baikui Li, Kam Tuen Law, Jiannong Wang

Abstract: The study of quantum geometry effects in materials has been one of the most important research directions in recent decades. The quantum geometry of a material is characterized by the quantum geometry tensor of the Bloch states. The imaginary part of the quantum geometry tensor gives rise to the Berry curvature while the real part gives rise to the quantum metric. While Berry curvature has been we… ▽ More The study of quantum geometry effects in materials has been one of the most important research directions in recent decades. The quantum geometry of a material is characterized by the quantum geometry tensor of the Bloch states. The imaginary part of the quantum geometry tensor gives rise to the Berry curvature while the real part gives rise to the quantum metric. While Berry curvature has been well studied in the past decades, the experimental investigation on the quantum metric effects is only at its infancy stage. In this work, we measure the nonlinear transport of bulk MnBi${_2}$Te${_4}$, which is a topological anti-ferromagnet. We found that the second order nonlinear responses are negligible as required by inversion symmetry, the third-order nonlinear responses are finite. The measured third-harmonic longitudinal ($V_{xx}^{3ω}$) and transverse ($V_{xy}^{3ω}$) voltages with frequency 3w, driven by an a.c. current with frequency w, show an intimate connection with magnetic transitions of MnBi${_2}$Te${_4}$ flakes. Their magnitudes change abruptly as MnBi${_2}$Te${_4}$ flakes go through magnetic transitions from an AFM state to a canted AFM state and to a FM state. In addition, the measured $V_{xx}^{3ω}$ is an even function of the applied magnetic field B while $V_{xy}^{3ω}$ is odd in B. Amazingly, the field dependence of the third-order responses as a function of the magnetic field suggests that $V_{xx}^{3ω}$ is induced by quantum metric quadrupole and $V_{xy}^{3ω}$ is induced by Berry curvature quadrupole. Therefore, the quadrupoles of both the real and the imaginary part of the quantum geometry tensor of bulk MnBi${_2}$Te${_4}$ are revealed through the third order nonlinear transport measurements. This work greatly advanced our understanding on the connections between the higher order moments of quantum geometry and nonlinear transport. △ Less

Submitted 7 November, 2023; v1 submitted 23 July, 2023; originally announced July 2023.

Journal ref: Nat Commun 15, 7779 (2024)

Cavity-Induced Strong Magnon-Magnon Coupling in Altermagnets

Authors: Zhejunyu Jin, Huanhuan Yang, Zhaozhuo Zeng, Yunshan Cao, Peng Yan

Abstract: Long-distance strong coupling between short-wavelength magnons remains an outstanding challenge in quantum magnonics, an emerging interdiscipline between magnonics and quantum information science. Recently, altermagnets are identified as the third elementary class of magnets that break the time-reversal symmetry without magnetization and thus combine characteristics of conventional collinear ferro… ▽ More Long-distance strong coupling between short-wavelength magnons remains an outstanding challenge in quantum magnonics, an emerging interdiscipline between magnonics and quantum information science. Recently, altermagnets are identified as the third elementary class of magnets that break the time-reversal symmetry without magnetization and thus combine characteristics of conventional collinear ferromagnets and antiferromagnets. In this work, we show that cavity photons can mediate the long-distance strong coupling of exchange magnons with opposite chiralities in altermagnets, manifesting as an anticrossing of the magnon-polariton spectrum in the extremely dispersive regime. The predicted effective magnon-magnon coupling strongly depends on the magnon propagation direction, and is thus highly anisotropic. Our findings are intimately connected to the intrinsic nature of altermagnetic magnons, i.e., chirality-splitting-induced crossing of exchange magnons, which has no counterpart in conventional ferromagnets or antiferromagnets, and may open a new path way for magnon-based quantum information processing in altermagnets. △ Less

Submitted 3 July, 2023; originally announced July 2023.

Anomalous Nernst effect induced terahertz emission in a single ferromagnetic film

Authors: Zheng Feng, Wei Tan, Zuanming Jin, Yi-Jia Chen, Zhangfeng Zhong, Liang Zhang, Song Sun, Jin Tang, Yexing Jiang, Po-Hsun Wu, Jun Cheng, Bingfeng Miao, Haifeng Ding, Dacheng Wang, Yiming Zhu, Liang Guo, Sunmi Shin, Guohong Ma, Dazhi Hou, Ssu-Yen Huang

Abstract: By developing a bidirectional-pump terahertz (THz) emission spectroscopy, we reveal an anomalous Nernst effect (ANE) induced THz emission in a single ferromagnetic film. Based on the distinctive symmetry of the THz signals, ANE is unequivocally distinguished from the previously attributed ultrafast demagnetization and anomalous Hall effect mechanisms. A quantitative method is established to separa… ▽ More By developing a bidirectional-pump terahertz (THz) emission spectroscopy, we reveal an anomalous Nernst effect (ANE) induced THz emission in a single ferromagnetic film. Based on the distinctive symmetry of the THz signals, ANE is unequivocally distinguished from the previously attributed ultrafast demagnetization and anomalous Hall effect mechanisms. A quantitative method is established to separate the different contributions, demonstrating a significant ANE contribution that even overwhelms other competing mechanisms. Our work not only clarifies the origin of the ferromagnetic-based THz emission, but also offers a fertile platform for investigating the ultrafast magnetism and THz spintronics. △ Less

Submitted 16 June, 2023; v1 submitted 21 February, 2023; originally announced February 2023.

Nonlinear Topological Magnon Spin Hall Effect

Authors: Zhejunyu Jin, Xianglong Yao, Zhenyu Wang, H. Y. Yuan, Zhaozhuo Zeng, Yunshan Cao, Peng Yan

Abstract: When a magnon passes through two-dimensional magnetic textures, it will experience a fictitious magnetic field originating from the $3\times 3$ skew-symmetric gauge fields. To date, only one of the three independent components of the gauge fields has been found to play a role in generating the fictitious magnetic field while the rest two are perfectly hidden. In this work, we show that they are co… ▽ More When a magnon passes through two-dimensional magnetic textures, it will experience a fictitious magnetic field originating from the $3\times 3$ skew-symmetric gauge fields. To date, only one of the three independent components of the gauge fields has been found to play a role in generating the fictitious magnetic field while the rest two are perfectly hidden. In this work, we show that they are concealed in the nonlinear magnon transport in magnetic textures. Without loss of generality, we theoretically study the nonlinear magnon-skyrmion interaction in antiferromagnets. By analyzing the scattering features of three-magnon processes between the circularly-polarized incident magnon and breathing skyrmion, we predict a giant Hall angle of both the confluence and splitting modes. Furthermore, we find that the Hall angle reverses its sign when one switches the handedness of the incident magnons. We dub it nonlinear topological magnon spin Hall effect. Our findings are deeply rooted in the bosonic nature of magnons that the particle number is not conserved, which has no counterpart in low-energy fermionic systems, and may open the door for probing gauge fields by nonlinear means. △ Less

Submitted 9 January, 2023; originally announced January 2023.

Comments: 6 pages, 4 figures

Symmetry-compatible angular momentum conservation relation in plasmonic vortex lenses with rotational symmetries

Authors: Jie Yang, Pengyi Feng, Fei Han, Xuezhi Zheng, Jiafu Wang, Zhongwei Jin, Niels Verellen, Ewald Janssens, Jincheng Ni, Weijin Chen, Yuanjie Yang, Anxue Zhang, Benfeng Bai, Chengwei Qiu, Guy A E Vandenbosch

Abstract: Plasmonic vortex lenses (PVLs), producing vortex modes, known as plasmonic vortices (PVs), in the process of plasmonic spin-orbit coupling, provide a promising platform for the realization of many optical vortex-based applications. Very recently, it has been reported that a single PVL can generate multiple PVs. This work exploits the representation theory of finite groups, reveals the symmetry ori… ▽ More Plasmonic vortex lenses (PVLs), producing vortex modes, known as plasmonic vortices (PVs), in the process of plasmonic spin-orbit coupling, provide a promising platform for the realization of many optical vortex-based applications. Very recently, it has been reported that a single PVL can generate multiple PVs. This work exploits the representation theory of finite groups, reveals the symmetry origin of the generated PVs, and derives a new conservation relation based on symmetry principles. Specifically, the symmetry principles divide the near field of the PVL into regions, designate integers, which are the topological charges, to the regions, and, particularly, give an upper bound to the topological charge of the PV at the center of the PVL. Further application of the symmetry principles to the spin-orbit coupling process leads to a new conservation relation. Based on this relation, a two-step procedure is suggested to link the angular momentum of the incident field with the one of the generated PVs through the symmetries of the PVL. This theory is well demonstrated by numerical calculations. This work provides an alternative but essential symmetry perspective on the dynamics of spin-orbit coupling in PVLs, forms a strong complement for the physical investigations performed before, and therefore lays down a solid foundation for flexibly manipulating the PVs for emerging vortex-based nanophotonic applications. △ Less

Submitted 25 October, 2022; v1 submitted 28 September, 2022; originally announced September 2022.

Comments: 23 pages and 3 figures

Bond-dependent slave-particle cluster theory based on density matrix expansion

Authors: Zheting Jin, Sohrab Ismail-Beigi

Abstract: Efficient and accurate computational methods for dealing with interacting electron problems on a lattice are of broad interest to the condensed matter community. For interacting Hubbard models, we introduce a cluster slave-particle approach that provides significant computational savings with high accuracy for total energies, site occupancies, and interaction energies. Compared to exact benchmarks… ▽ More Efficient and accurate computational methods for dealing with interacting electron problems on a lattice are of broad interest to the condensed matter community. For interacting Hubbard models, we introduce a cluster slave-particle approach that provides significant computational savings with high accuracy for total energies, site occupancies, and interaction energies. Compared to exact benchmarks using density matrix renormalization group for $d$-$p$ Hubbard models, our approach delivers accurate results using two to three orders of magnitude lower computational cost. Our method is based on a novel slave-particle decomposition with an improved description of particle hoppings, and a new density matrix expansion method where the interacting lattice slave-particle problem is then turned into a set of overlapping real-space clusters which are solved self-consistently with appropriate physical matching constraints at shared lattice sites between clusters. △ Less

Submitted 20 March, 2023; v1 submitted 19 September, 2022; originally announced September 2022.

Comments: 21 pages, 13 figures

Journal ref: Phys. Rev. B 107, 115153 (2023)

Chern numbers of topological phonon band crossing determined with inelastic neutron scattering

Authors: Zhendong Jin, Biaoyan Hu, Yiran Liu, Yangmu Li, Tiantian Zhang, Kazuki Iida, Kazuya Kamazawa, A. I. Kolesnikov, M. B. Stone, Xiangyu Zhang, Haiyang Chen, Yandong Wang, I. A. Zaliznyak, J. M. Tranquada, Chen Fang, Yuan Li

Abstract: Topological invariants in the band structure, such as Chern numbers, are crucial for the classification of topological matters and dictate the occurrence of exotic properties, yet their direct spectroscopic determination has been largely limited to electronic bands. Here, we use inelastic neutron scattering in conjunction with ab initio calculations to identify a variety of topological phonon band… ▽ More Topological invariants in the band structure, such as Chern numbers, are crucial for the classification of topological matters and dictate the occurrence of exotic properties, yet their direct spectroscopic determination has been largely limited to electronic bands. Here, we use inelastic neutron scattering in conjunction with ab initio calculations to identify a variety of topological phonon band crossings in MnSi and CoSi single crystals. We find a distinct relation between the Chern numbers of a band-crossing node and the scattering intensity modulation in momentum space around the node. Given sufficiently high resolution, our method can be used to determine arbitrarily large Chern numbers of topological phonon band-crossing nodes. △ Less

Submitted 25 July, 2022; originally announced July 2022.

Comments: 14 pages, 9 figures including supplemental material

Journal ref: Phys. Rev. B 106, 224304 (2022)

Magnetic molecular orbitals in MnSi

Authors: Zhendong Jin, Yangmu Li, Zhigang Hu, Biaoyan Hu, Yiran Liu, Kazuki Iida, Kazuya Kamazawa, M. B. Stone, A. I. Kolesnikov, D. L. Abernathy, Xiangyu Zhang, Haiyang Chen, Yandong Wang, Chen Fang, Biao Wu, I. A. Zaliznyak, J. M. Tranquada, Yuan Li

Abstract: A large body of knowledge about magnetism is attained from models of interacting spins, which usually reside on magnetic ions. Proposals beyond the ionic picture are uncommon and seldom verified by direct observations in conjunction with microscopic theory. Here, using inelastic neutron scattering to study the itinerant near-ferromagnet MnSi, we find that the system's fundamental magnetic units ar… ▽ More A large body of knowledge about magnetism is attained from models of interacting spins, which usually reside on magnetic ions. Proposals beyond the ionic picture are uncommon and seldom verified by direct observations in conjunction with microscopic theory. Here, using inelastic neutron scattering to study the itinerant near-ferromagnet MnSi, we find that the system's fundamental magnetic units are interconnected, extended molecular orbitals consisting of three Mn atoms each, rather than individual Mn atoms. This result is further corroborated by magnetic Wannier orbitals obtained by ab initio calculations. It contrasts the ionic picture with a concrete example, and presents a novel regime of the spin waves where the wavelength is comparable to the spatial extent of the molecular orbitals. Our discovery brings important insights into not only the magnetism of MnSi, but also a broad range of magnetic quantum materials where structural symmetry, electron itinerancy and correlations act in concert. △ Less

Submitted 27 June, 2022; originally announced June 2022.

Comments: 27 pages, 27 figures including supplemental; comments are welcome

Journal ref: Science Advances 9, eadd5239 (2023)

Hexagonal network of photocurrent enhancement in few-layer graphene/InGaN quantum dot junctions

Authors: Guanghui Cheng, Zijing Jin, Chunyu Zhao, Chengjie Zhou, Baikui Li, Jiannong Wang

Abstract: Strain in two-dimensional (2D) materials has attracted particular attention owing to the remarkable modification of electronic and optical properties. However, emergent electromechanical phenomena and hidden mechanisms, such as strain-superlattice-induced topological states or flexoelectricity under strain gradient, remain under debate. Here, using scanning photocurrent microscopy, we observe sign… ▽ More Strain in two-dimensional (2D) materials has attracted particular attention owing to the remarkable modification of electronic and optical properties. However, emergent electromechanical phenomena and hidden mechanisms, such as strain-superlattice-induced topological states or flexoelectricity under strain gradient, remain under debate. Here, using scanning photocurrent microscopy, we observe significant photocurrent enhancement in hybrid vertical junction devices made of strained few-layer graphene and InGaN quantum dots. Optoelectronic response and photoluminescence measurements demonstrate a possible mechanism closely tied to the flexoelectric effect in few-layer graphene, where the strain can induce a lateral built-in electric field and assist the separation of electron-hole pairs. Photocurrent mapping reveals an unprecedentedly ordered hexagonal network, suggesting the potential to create a superlattice by strain engineering. Our work provides insights into optoelectronic phenomena in the presence of strain and paves the way for practical applications associated with strained 2D materials. △ Less

Submitted 2 August, 2024; v1 submitted 24 March, 2022; originally announced March 2022.

Journal ref: Nano Lett. 22 (2022) 6964-6971

Revealing the three-component structure of water with principal component analysis (PCA) on X-ray spectrum

Authors: Zhipeng Jin, Jiangtao Zhao, Gang Chen, Guo Chen, Zhenlin Luo, Lei Xu

Abstract: Combining the principal component analysis (PCA) of X-ray spectrum with MD simulations, we experimentally reveal the existence of three basic components in water. These components exhibit distinct structures, densities, and temperature dependencies. Among the three, two major components correspond to the low-density liquid (LDL) and the high-density liquid (HDL) predicted by the two-component mode… ▽ More Combining the principal component analysis (PCA) of X-ray spectrum with MD simulations, we experimentally reveal the existence of three basic components in water. These components exhibit distinct structures, densities, and temperature dependencies. Among the three, two major components correspond to the low-density liquid (LDL) and the high-density liquid (HDL) predicted by the two-component model, and the third component exhibits a unique 5-hydrogen-bond configuration with an ultra-high local density. As the temperature increases, the LDL component decreases and the HDL component increases, while the third component varies non-monotonically with a peak around 20 $^{\circ}$C to 30 $^{\circ}$C. The 3D structure of the third component is further illustrated as the uniform distribution of five hydrogen-bonded neighbors on a spherical surface. Our study reveals experimental evidence for water's unique three-component structure, which provides a fundamental basis for understanding water's special properties and anomalies. △ Less

Submitted 3 November, 2021; v1 submitted 28 October, 2021; originally announced October 2021.

Comments: 11 pages, 5 figures

Journal ref: Soft Matter, 2022,18, 7486-7496

Transition of laser-induced terahertz spin currents from torque- to conduction-electron-mediated transport

Authors: Pilar Jiménez-Cavero, Oliver Gueckstock, Lukáš Nádvorník, Irene Lucas, Tom S. Seifert, Martin Wolf, Reza Rouzegar, Piet W. Brouwer, Sven Becker, Gerhard Jakob, Mathias Kläui, Chenyang Guo, Caihua Wan, Xiufeng Han, Zuanming Jin, Hui Zhao, Di Wu, Luis Morellón, Tobias Kampfrath

Abstract: Spin transport is crucial for future spintronic devices operating at bandwidths up to the terahertz (THz) range. In F|N thin-film stacks made of a ferro/ferrimagnetic layer F and a normal-metal layer N, spin transport is mediated by (1) spin-polarized conduction electrons and/or (2) torque between electron spins. To identify a cross-over from (1) to (2), we study laser-driven spin currents in F|Pt… ▽ More Spin transport is crucial for future spintronic devices operating at bandwidths up to the terahertz (THz) range. In F|N thin-film stacks made of a ferro/ferrimagnetic layer F and a normal-metal layer N, spin transport is mediated by (1) spin-polarized conduction electrons and/or (2) torque between electron spins. To identify a cross-over from (1) to (2), we study laser-driven spin currents in F|Pt stacks where F consists of model materials with different degrees of electrical conductivity. For the magnetic insulators YIG, GIG and maghemite, identical dynamics is observed. It arises from the THz interfacial spin Seebeck effect (SSE), is fully determined by the relaxation of the electrons in the metal layer and provides an estimate of the spin-mixing conductance of the GIG/Pt interface. Remarkably, in the half-metallic ferrimagnet Fe3O4 (magnetite), our measurements reveal two spin-current components with opposite direction. The slower, positive component exhibits SSE dynamics and is assigned to torque-type magnon excitation of the A- and B-spin sublattices of Fe3O4. The faster, negative component arises from the pyro-spintronic effect and can consistently be assigned to ultrafast demagnetization of e-sublattice minority-spin hopping electrons. This observation supports the magneto-electronic model of Fe3O4. In general, our results provide a new route to the contact-free separation of torque- and conduction-electron-mediated spin currents. △ Less

Submitted 20 November, 2021; v1 submitted 11 October, 2021; originally announced October 2021.

Journal ref: Phys. Rev. B 105, 184408 (2022)

Achieving adjustable elasticity with non-affine to affine transition

Authors: Xiangying Shen, Chenchao Fang, Zhipeng Jin, Hua Tong, Shixiang Tang, Hongchuan Shen, Ning Xu, Jack Hau Yung Lo, Xinliang Xu, Lei Xu

Abstract: For various engineering and industrial applications it is desirable to realize mechanical systems with broadly adjustable elasticity to respond flexibly to the external environment. Here we discover a topology-correlated transition between affine and non-affine regimes in elasticity in both two- and three-dimensional packing-derived networks. Based on this transition, we numerically design and exp… ▽ More For various engineering and industrial applications it is desirable to realize mechanical systems with broadly adjustable elasticity to respond flexibly to the external environment. Here we discover a topology-correlated transition between affine and non-affine regimes in elasticity in both two- and three-dimensional packing-derived networks. Based on this transition, we numerically design and experimentally realize multifunctional systems with adjustable elasticity. Within one system, we achieve solid-like affine response, liquid-like non-affine response and a continuous tunability in between. Moreover, the system also exhibits a broadly tunable Poisson's ratio from positive to negative values, which is of practical interest for energy absorption and for fracture-resistant materials. Our study reveals a fundamental connection between elasticity and network topology, and demonstrates its practical potential for designing mechanical systems and metamaterials. △ Less

Submitted 16 September, 2021; originally announced September 2021.

Comments: 10 pages, 5 figures

All-optical spin switching probability in [Tb/Co] multilayers

Authors: Luis Avilés-Félix, Louis Farcis, Zebin Jin, Laura Álvaro-Gómez, Gunqiao Li, Kihiro T. Yamada, Andrei Kirilyuk, Aleksey V. Kimel, Theo Rasing, Bernard Dieny, Ricardo C. Sousa, Ioan-Lucian Prejbeanu, Liliana D. Buda-Prejbeanu

Abstract: Since the first experimental observation of all-optical switching phenomena, intensive research has been focused on finding suitable magnetic systems that can be integrated as storage elements within spintronic devices and whose magnetization can be controlled through ultra-short single laser pulses. We report here atomistic spin simulations of all-optical switching in multilayered structures alte… ▽ More Since the first experimental observation of all-optical switching phenomena, intensive research has been focused on finding suitable magnetic systems that can be integrated as storage elements within spintronic devices and whose magnetization can be controlled through ultra-short single laser pulses. We report here atomistic spin simulations of all-optical switching in multilayered structures alternating n monolayers of Tb and m monolayers of Co. By using a two temperature model, we numerically calculate the thermal variation of the magnetization of each sublattice as well as the magnetization dynamics of [Tbn/Com] multilayers upon incidence of a single laser pulse. In particular, the condition to observe thermally-induced magnetization switching is investigated upon varying systematically both the composition of the sample (n,m) and the laser fluence. The samples with one monolayer of Tb as [Tb1/Co2] and [Tb1/Co3] are showing thermally induced magnetization switching above a fluence threshold. The reversal mechanism is mediated by the residual magnetization of the Tb lattice while the Co is fully demagnetized in agreement with the models developed for ferrimagnetic alloys. The switching is however not fully deterministic but the error rate can be tuned by the damping parameter. Increasing the number of monolayers the switching becomes completely stochastic. The intermixing at the Tb/Co interfaces appears to be a promising way to reduce the stochasticity. These results predict for the first time the possibility of TIMS in [Tb/Co] multilayers and suggest the occurrence of sub-picosecond magnetization reversal using single laser pulses. △ Less

Submitted 8 March, 2021; originally announced March 2021.

Comments: 9 pages, 4 figures

Magnon driven skyrmion dynamics in antiferromagnets: The effect of magnon polarization

Authors: Z. Jin, C. Y. Meng, T. T. Liu, D. Y. Chen, Z. Fan, M. Zeng, X. B. Lu, X. S. Gao, M. H. Qin, J. M. Liu

Abstract: The controllable magnetic skyrmion motion represents a highly concerned issue in preparing advanced skyrmion-based spintronic devices. Specifically, magnon-driven skyrmion motion can be easily accessible in both metallic and insulating magnets, and thus is highly preferred over electric current control further for the ultra-low energy consumption. In this work, we investigate extensively the dynam… ▽ More The controllable magnetic skyrmion motion represents a highly concerned issue in preparing advanced skyrmion-based spintronic devices. Specifically, magnon-driven skyrmion motion can be easily accessible in both metallic and insulating magnets, and thus is highly preferred over electric current control further for the ultra-low energy consumption. In this work, we investigate extensively the dynamics of skyrmion motion driven by magnon in an antiferromagnet using the collective coordinate theory, focusing on the effect of magnon polarization. It is revealed that the skyrmion Hall motion driven by circularly polarized magnon becomes inevitable generally, consistent with earlier report. Furthermore, the elastic scattering theory and numerical results unveil the strong inter-dependence between the linearly polarized magnon and skyrmion motion, suggesting the complicated dependence of the skyrmion motion on the polarization nature of driving magnon. On the reversal, the scattering from the moving skyrmion may lead to decomposition of the linearly polarized magnon into two elliptically polarized magnon bands. Consequently, a net transverse force acting on skyrmion is generated owing to the broken mirror symmetry, which in turn drives a skyrmion Hall motion. The Hall motion can be completely suppressed only in some specific condition where the mirror symmetry is preserved. The present work unveils non-trivial skyrmion-magnon scattering behavior in antiferromagnets, advancing the antiferromagnetic spintronics and benefiting to high-performance devices. △ Less

Submitted 1 March, 2021; originally announced March 2021.

Comments: 22 pages,7 figures

Journal ref: Phys. Rev. B 104, 054419 (2021)

Ultrastrong Magnon-Magnon Coupling Dominated by Antiresonant Interactions

Authors: Takuma Makihara, Kenji Hayashida, G. Timothy Noe II, Xinwei Li, Nicolas Marquez Peraca, Xiaoxuan Ma, Zuanming Jin, Wei Ren, Guohong Ma, Ikufumi Katayama, Jun Takeda, Hiroyuki Nojiri, Dmitry Turchinovich, Shixun Cao, Motoaki Bamba, Junichiro Kono

Abstract: Exotic quantum vacuum phenomena are predicted in cavity quantum electrodynamics (QED) systems with ultrastrong light-matter interactions. Their ground states are predicted to be vacuum squeezed states with suppressed quantum fluctuations. The source of such phenomena are antiresonant terms in the Hamiltonian, yet antiresonant interactions are typically negligible compared to resonant interactions… ▽ More Exotic quantum vacuum phenomena are predicted in cavity quantum electrodynamics (QED) systems with ultrastrong light-matter interactions. Their ground states are predicted to be vacuum squeezed states with suppressed quantum fluctuations. The source of such phenomena are antiresonant terms in the Hamiltonian, yet antiresonant interactions are typically negligible compared to resonant interactions in light-matter systems. We report an unusual coupled matter-matter system of magnons that can simulate a unique cavity QED Hamiltonian with coupling strengths that are easily tunable into the ultrastrong coupling regime and with dominant antiresonant terms. We found a novel regime where vacuum Bloch-Siegert shifts, the hallmark of antiresonant interactions, greatly exceed analogous frequency shifts from resonant interactions. Further, we theoretically explored the system's ground state and calculated up to 5.9 dB of quantum fluctuation suppression. These observations demonstrate that magnonic systems provide an ideal platform for simulating exotic quantum vacuum phenomena predicted in ultrastrongly coupled light-matter systems. △ Less

Submitted 7 February, 2021; v1 submitted 24 August, 2020; originally announced August 2020.

Comments: 36 pages, 4 figures

Dynamics of antiferromagnetic skyrmion in absence and presence of pinning defect

Authors: Z. Jin, T. T. Liu, W. H. Li, X. M. Zhang, Z. P. Hou, D. Y. Chen, Z. Fan, M. Zeng, X. B. Lu, X. S. Gao, M. H. Qin, J. M. Liu

Abstract: A theoretical study on the dynamics of an antiferromagnetic (AFM) skyrmion is indispensable for revealing the underlying physics and understanding the numerical and experimental observations. In this work, we present a reliable theoretical treatment of the spin current induced motion of an AFM skyrmion in the absence and presence of pinning defect. For an ideal AFM system free of defect, the skyrm… ▽ More A theoretical study on the dynamics of an antiferromagnetic (AFM) skyrmion is indispensable for revealing the underlying physics and understanding the numerical and experimental observations. In this work, we present a reliable theoretical treatment of the spin current induced motion of an AFM skyrmion in the absence and presence of pinning defect. For an ideal AFM system free of defect, the skyrmion motion velocity as a function of the intrinsic parameters can be derived, based on the concept that the skyrmion profile agrees well with the 360 domain wall formula, leading to an explicit description of the skyrmion dynamics. However, for an AFM lattice containing a defect, the skyrmion can be pinned and the depinning field as a function of damping constant and pinning strength can be described by the Thiele approach. It is revealed that the depinning behavior can be remarkably influenced by the time dependent oscillation of the skyrmion trajectory. The present theory provides a comprehensive scenario for manipulating the dynamics of AFM skyrmion, informative for future spintronic applications based on antiferromagnets. △ Less

Submitted 28 July, 2020; originally announced July 2020.

Comments: 17 pages, 4 figures, to be published in Physical Review B

Journal ref: Physical Review B 102, 054419 (2020)

Observation of Negative THz Photoconductivity in Large Area Type-II Dirac Semimetal PtTe2

Authors: Peng Suo, Huiyun Zhang, Shengnan Yan, Wenjie Zhang, Jibo Fu, Xian Lin, Song Hao, Zuanming Jin, Yuping Zhang, Chao Zhang, Feng Miao, Shi-Jun Liang, Guohong Ma

Abstract: As a newly emergent type-II Dirac semimetal, Platinum Telluride (PtTe2) stands out from other 2D noble-transition-metal dichalcogenides for the unique structure and novel physical properties, such as high carrier mobility, strong electron-phonon coupling and tunable bandgap, which make the PtTe2 a good candidate for applications in optoelectronics, valleytronics and far infrared detectors. Althoug… ▽ More As a newly emergent type-II Dirac semimetal, Platinum Telluride (PtTe2) stands out from other 2D noble-transition-metal dichalcogenides for the unique structure and novel physical properties, such as high carrier mobility, strong electron-phonon coupling and tunable bandgap, which make the PtTe2 a good candidate for applications in optoelectronics, valleytronics and far infrared detectors. Although the transport properties of PtTe2 have been studied extensively, the dynamics of the nonequilibrium carriers remain nearly uninvestigated. Herein we employ optical pump-terahertz (THz) probe spectroscopy (OPTP) to systematically study the photocarrier dynamics of PtTe2 thin films with varying pump fluence, temperature, and film thickness. Upon photoexcitation the THz photoconductivity (PC) of 5 nm PtTe2 film shows abrupt increase initially, while the THz PC changes into negative value in a subpicosecond time scale, followed by a prolonged recovery process that lasted hundreds of picoseconds (ps). This unusual THz PC response observed in the 5 nm PtTe2 film was found to be absent in a 2 nm PtTe2 film. We assign the unexpected negative THz PC as the small polaron formation due to the strong electron-Eg-mode phonon coupling, which is further substantiated by pump fluence- and temperature-dependent measurements as well as the Raman spectroscopy. Moreover, our investigations give a subpicosecond time scale of sequential carrier cooling and polaron formation. The present study provides deep insights into the underlying dynamics evolution mechanisms of photocarrier in type-II Dirac semimetal upon photoexcitation, which is fundamental importance for designing PtTe2-based optoelectronic devices. △ Less

Submitted 1 February, 2021; v1 submitted 23 June, 2020; originally announced June 2020.

Comments: 18 pages, 4 figures

Journal ref: Phys. Rev. Lett. 126, 227402 (2021)

Terahertz emission in the van der Waals magnet CrSiTe3

Authors: Peng Suo, Wei Xia, Wenjie Zhang, Xiaoqing Zhu, Jibo Fu, Xian Lin, Zuanming Jin, Weimin Liu, Yanfeng Guo, Guohong Ma

Abstract: The van der Waals magnet CrSiTe3 (CST) has captured immense interest because it is capable of retaining the long-range ferromagnetic order even in its monolayer form, thus offering potential use in spintronic devices. Bulk CST crystal has inversion symmetry that is broken on the crystal surface. Here, by employing ultrafast terahertz (THz) emission spectroscopy and time resolved THz spectroscopy,… ▽ More The van der Waals magnet CrSiTe3 (CST) has captured immense interest because it is capable of retaining the long-range ferromagnetic order even in its monolayer form, thus offering potential use in spintronic devices. Bulk CST crystal has inversion symmetry that is broken on the crystal surface. Here, by employing ultrafast terahertz (THz) emission spectroscopy and time resolved THz spectroscopy, the THz emission of the CST crystal was investigated, which shows a strong THz emission from the crystal surface under femtosecond (fs) pulse excitation at 800 nm. Theoretical analysis based on space symmetry of CST suggests the dominant role of shift current occurring on the surface with a thickness of a few quintuple layers in producing the THz emission, in consistence with the experimental observation that the emitted THz amplitude strongly depends on the azimuthal and pumping polarization angles. The present study offers a new efficient THz emitter as well as a better understanding of the nonlinear optical response of CST. It hopefully will open a window toward the investigation on the nonlinear optical response in the mono-/few-layer van der Waals crystals with low-dimensional magnetism. △ Less

Submitted 25 April, 2020; v1 submitted 2 December, 2019; originally announced December 2019.

Comments: 36 pages, 6 figures

A Forecasting System of Computational Time of DFT/TDDFT Calculations under the Multiverse ansatz via Machine Learning and Cheminformatics

Authors: Shuo Ma, Yingjin Ma, Baohua Zhang, Yingqi Tian, Zhong Jin

Abstract: A top-level designed forecasting system for predicting computational times of density-functional theory (DFT)/time-dependent density-functional theory (TDDFT) calculations is presented. The computational time is assumed as the intrinsic property for the molecule. Basing on this assumption, the forecasting system is established using the "reinforced concrete", which combines the cheminformatics, se… ▽ More A top-level designed forecasting system for predicting computational times of density-functional theory (DFT)/time-dependent density-functional theory (TDDFT) calculations is presented. The computational time is assumed as the intrinsic property for the molecule. Basing on this assumption, the forecasting system is established using the "reinforced concrete", which combines the cheminformatics, several machine-learning (ML) models, and the framework of many-world interpretation (MWI) in multiverse ansatz. Herein, the cheminformatics is used to recognize the topological structure of molecules, the ML/AI models are used to build the relationships between topology and computational cost, and the MWI framework is used to hold various combinations of DFT functionals and basis sets in DFT/TDDFT calculations. Calculated results of molecules from DrugBank dataset show that 1) it can give quantitative predictions of computational costs, typical mean relative errors can be less than 0.2 for DFT/TDDFT calculations with derivations of 25% using the exactly pre-trained ML models, 2) it can also be employed to various combinations of DFT functional and basis set cases without exactly pre-trained ML models, while only slightly enlarge predicting errors. △ Less

Submitted 16 December, 2020; v1 submitted 13 November, 2019; originally announced November 2019.

Interface-driven unusual anomalous Hall effect in MnxGa/Pt bilayers: No correlation with chiral spin structures

Authors: Kangkang Meng, Lijun Zhu, Zhenhu Jin, Enke Liu, Xupeng Zhao, Iftikhar Ahmed Malik, Zhenguo Fu, Yong Wu, Jun Miao, Xiaoguang Xu, Jinxing Zhang, Jianhua Zhao, Yong Jiang

Abstract: The effects of spin-orbit coupling and symmetry breaking at the interface between a ferromagnet and heavy metal are particularly important for spin-based information storage and computation. Recent discoveries suggest they can create chiral spin structures (e.g. skyrmions), which have often been identified through the appearance of the bump/dip features of Hall signals, the so-called topological H… ▽ More The effects of spin-orbit coupling and symmetry breaking at the interface between a ferromagnet and heavy metal are particularly important for spin-based information storage and computation. Recent discoveries suggest they can create chiral spin structures (e.g. skyrmions), which have often been identified through the appearance of the bump/dip features of Hall signals, the so-called topological Hall effect (THE). In this work, however, we have present an unusual anomalous Hall effect (UAHE) in MnxGa/Pt bilayers and demonstrated that the features extremely similar to THE can be generated without involving any chiral spin structures. The low temperature magnetic force microscopy has been used to explore the magnetic field-dependent behavior of spin structures, and the UAHE as a function of magnetic field does not peak near the maximal density of magnetic bubbles. The results unambiguously evidence that the UAHE in MnxGa/Pt bilayers shows no correlation with chiral spin structures but is driven by the modified interfacial properties. The bump/dip features of Hall signals cannot be taken as an unambiguous signature for the emergence of chiral spin structures, and a wealth of underlying and interesting physics need explored. △ Less

Submitted 19 July, 2019; v1 submitted 17 January, 2019; originally announced January 2019.

Journal ref: Phys. Rev. B 100, 184410 (2019)

Transition between two metallic ferroelectric orders in multiferroic Ca$_3$Ru$_2$O$_7$, induced by magnetism-mediated orbital re-polarization

Authors: Zheting Jin, Wei Ku

Abstract: For the past decades, the low-temperature phase of Ca$_3$Ru$_2$O$_7$ below the 48K first-order phase transition remains a puzzle with controversial suggestions involving metallic ferroelectric, orbital or magnetic ordering. Through analysis of experimental lattice structure, density functional theory calculation, and effective model analysis, we propose that the 48K phase transition is a bond form… ▽ More For the past decades, the low-temperature phase of Ca$_3$Ru$_2$O$_7$ below the 48K first-order phase transition remains a puzzle with controversial suggestions involving metallic ferroelectric, orbital or magnetic ordering. Through analysis of experimental lattice structure, density functional theory calculation, and effective model analysis, we propose that the 48K phase transition is a bond formation transition promoted by the magnetism mediated orbital re-polarization. Most interestingly, this transition is accompanied by a switch of \textit{two} metallic ferroelectric orders from a $xy+y$ symmetry to $xz+z$. Our study not only resolves a long-standing puzzle of this phase transition in this material, but also demonstrates perhaps the first example of transition between multiple emergent ferroelectric orders in bad metals, resulting from interplay between multiferroic orders. △ Less

Submitted 12 September, 2018; originally announced September 2018.

Universal voltage scaling due to self-averaging of the quantum corrections in graphene

Authors: R. Somphonsane, H. Ramamoorthy, G. He, J. Nathawat, S. Yin, J. P. Bird, C. -P. Kwan, N. Arabchigavkani, B. Barut, M. Zhao, Z. Jin, J. Fransson

Abstract: The differential conductance of graphene is shown to exhibit a zero-bias anomaly at low temperatures, arising from a suppression of the quantum corrections due to weak localization and electron interactions. A simple rescaling of these data, free of any adjustable parameters, shows that this anomaly exhibits a universal, temperature- ($T$) independent form. According to this, the differential cond… ▽ More The differential conductance of graphene is shown to exhibit a zero-bias anomaly at low temperatures, arising from a suppression of the quantum corrections due to weak localization and electron interactions. A simple rescaling of these data, free of any adjustable parameters, shows that this anomaly exhibits a universal, temperature- ($T$) independent form. According to this, the differential conductance is approximately constant at small voltages ($V<k_BT/e$), while at larger voltages it increases logarithmically with the applied bias, reflecting a quenching of the quantum corrections. For theoretical insight into the origins of this behavior, we formulate a model for weak-localization in the presence of nonlinear transport. According to this, the voltage applied under nonequilibrium induces unavoidable dephasing, arising from a self-averaging of the diffusing electron waves responsible for transport. By establishing the manner in which the quantum corrections are suppressed in graphene, our study will be of broad relevance to the investigation of nonequilibrium transport in mesoscopic systems in general. This includes systems implemented from conventional metals and semiconductors, as well as those realized using other two-dimensional semiconductors and topological insulators. △ Less

Submitted 14 March, 2018; v1 submitted 24 February, 2018; originally announced February 2018.

Comments: 12 pages, 7 figures; submitted for publication. arXiv admin note: text overlap with arXiv:1702.06706

Elastic, strength, and fracture properties of Marcellus shale

Authors: Zhefei Jin, Weixin Li, Congrui Jin, James Hambleton, Congrui Jin, Gianluca Cusatis

Abstract: Shale, a fine-grained sedimentary rock, is the key source rock for many of the world's most important oil and natural gas deposits. A deep understanding of the mechanical properties of shale is of vital importance in various geotechnical applications, including oil and gas exploitation. In this work, deformability, strength, and fracturing properties of Marcellus shale were investigated through an… ▽ More Shale, a fine-grained sedimentary rock, is the key source rock for many of the world's most important oil and natural gas deposits. A deep understanding of the mechanical properties of shale is of vital importance in various geotechnical applications, including oil and gas exploitation. In this work, deformability, strength, and fracturing properties of Marcellus shale were investigated through an experimental study. Firstly, uniaxial compression, direct tension, and Brazilian tests were performed on the Marcellus shale specimens in various bedding plane orientations with respect to loading directions to measure the static mechanical properties and their anisotropy. Furthermore, the deformability of Marcellus shale was also studied through seismic velocity measurements for comparison with the static measurements. The experimental results revealed that the transversely isotropic model is applicable for describing the elastic behaviors of Marcellus shale in pure tension and compression. The elastic properties measured from these two experiments, however, were not exactly the same. Strength results showed that differences exist between splitting (Brazilian) and direct tensile strengths, both of which varied with bedding plane orientations and loading directions and were associated with different failure modes. Finally, a series of three-point-bending tests were conducted on specimens of increasing size in three different principal notch orientations to investigate the fracture properties of the material. It was found that there exists a significant size effect on the fracture properties calculated from the measured peak loads and by using the Linear Elastic Fracture Mechanics (LEFM) theory. The fracture properties can be uniquely identified, however, by using Bazant's Size Effect Law and they were found to be anisotropic. △ Less

Submitted 6 December, 2017; originally announced December 2017.

Report number: No. 17-12/478E

Journal ref: International Journal of Rock Mechanics and Mining Sciences 109 (2018): 124-137

Characterization of Marcellus Shale Fracture Properties through Size Effect Tests and Computations

Authors: Weixin Li, Zhefei Jin, Gianluca Cusatis

Abstract: Mechanical characterization of shale-like rocks requires understanding the scaling of the measured properties to enable the extrapolation from small scale laboratory tests to field study. In this paper, the size effect of Marcellus shale was analyzed, and the fracture properties were obtained through size effect tests. A number of fracture tests were conducted on Three-Point-Bending (TPB) specimen… ▽ More Mechanical characterization of shale-like rocks requires understanding the scaling of the measured properties to enable the extrapolation from small scale laboratory tests to field study. In this paper, the size effect of Marcellus shale was analyzed, and the fracture properties were obtained through size effect tests. A number of fracture tests were conducted on Three-Point-Bending (TPB) specimens with increasing size. Test results show that the nominal strength decreases with increasing specimen size, and can be fitted well by Bazant's Size Effect Law (SEL). It is shown that SEL accounts for the effects of both specimen size and geometry, allowing an accurate identification of the initial fracture energy of the material, Gf, and the effective Fracture Process Zone (FPZ) length, cf. The obtained fracture properties were verified by the numerical simulations of the investigated specimens using standard Finite Element technique with cohesive model. Significant anisotropy was observed in the fracture properties determined in three principal notch orientations: arrester, divider, and short-transverse. The size effect of the measured structural strength and apparent fracture toughness was discussed. Neither strength-based criterion which neglects size effect, nor classic LEFM which does not account for the finiteness of the FPZ can predict the reported size effect data, and nonlinear fracture mechanics of the quasibrittle type is instead applicable. △ Less

Submitted 19 October, 2017; originally announced October 2017.

Report number: SEGIM INTERNAL REPORT No. 17-08/976E

Journal ref: Rock Mechanics and Rock Engineering 52.1 (2019): 1-18

Determination of spin relaxation times in heavy metals via 2nd harmonic spin injection magnetoresistance

Authors: C. Fang, C. H. Wan, X. M. Liu, B. S. Yang, J. Y. Qin, B. S. Tao, H. Wu, X. Zhang, Z. M. Jin, A. Hoffmann, X. F. Han

Abstract: In tunnel junctions between ferromagnets and heavy elements with strong spin orbit coupling the magnetoresistance is often dominated by tunneling anisotropic magnetoresistance (TAMR). This makes conventional DC spin injection techniques impractical for determining the spin relaxation time ($τ_s$). Here, we show that this obstacle for measurements of $τ_s$ can be overcome by 2nd harmonic spin-injec… ▽ More In tunnel junctions between ferromagnets and heavy elements with strong spin orbit coupling the magnetoresistance is often dominated by tunneling anisotropic magnetoresistance (TAMR). This makes conventional DC spin injection techniques impractical for determining the spin relaxation time ($τ_s$). Here, we show that this obstacle for measurements of $τ_s$ can be overcome by 2nd harmonic spin-injection-magnetoresistance (SIMR). In the 2nd harmonic signal the SIMR is comparable in magnitude to TAMR, thus enabling Hanle-induced SIMR as a powerful tool to directly determine $τ_s$. Using this approach we determined the spin relaxation time of Pt and Ta and their temperature dependences. The spin relaxation in Pt seems to be governed by Elliott-Yafet mechanism due to a constant resistivity $\times$spin relaxation time product over a wide temperature range. △ Less

Submitted 8 May, 2017; originally announced May 2017.

Comments: 7 pages, 4 figures

Journal ref: Phys. Rev. B 96, 134421 (2017)

Janus Monolayer Transition Metal Dichalcogenides

Authors: Jing Zhang, Shuai Jia, Kholmanov Iskandar, Liang Dong, Dequan Er, Weibing Chen, Hua Guo, Zehua Jin, Vivek B. Shenoy, Li Shi, Jun Lou

Abstract: A novel crystal configuration of sandwiched S-Mo-Se structure (Janus SMoSe) at the monolayer limit has been synthesized and carefully characterized in this work. By controlled sulfurization of monolayer MoSe2 the top layer of selenium atoms are substituted by sulfur atoms while the bottom selenium layer remains intact. The peculiar structure of this new material is systematically investigated by R… ▽ More A novel crystal configuration of sandwiched S-Mo-Se structure (Janus SMoSe) at the monolayer limit has been synthesized and carefully characterized in this work. By controlled sulfurization of monolayer MoSe2 the top layer of selenium atoms are substituted by sulfur atoms while the bottom selenium layer remains intact. The peculiar structure of this new material is systematically investigated by Raman, photoluminescence and X-ray photoelectron spectroscopy and confirmed by transmission-electron microscopy and time-of-flight secondary ion mass spectrometry. Density-functional theory calculations are performed to better understand the Raman vibration modes and electronic structures of the Janus SMoSe monolayer, which are found to correlate well with corresponding experimental results. Finally, high basal plane hydrogen evolution reaction (HER) activity is discovered for the Janus monolayer and DFT calculation implies that the activity originates from the synergistic effect of the intrinsic defects and structural strain inherent in the Janus structure. △ Less

Submitted 21 April, 2017; originally announced April 2017.

Comments: 22 pages, 12 figures

Unexpectedly High Cross-plane Thermoelectric Performance in Layered Carbon Nitrides

Authors: Zhidong Ding, Meng An, Shenqiu Mo, Xiaoxiang Yu, Zelin Jin, Yuxuan Liao, Jingtao Lü, Kevian Esfarjani, Junichiro Shiomi, Nuo Yang

Abstract: Organic thermoelectric (TE) materials create a brand new perspective to search for high-efficiency TE materials, due to their small thermal conductivity. The overlap of pz orbitals, commonly existing in organic π-stacking semiconductors, can potentially result in high electronic mobility comparable to inorganic electronics. Here we propose a strategy to utilize the overlap of pz orbitals to increa… ▽ More Organic thermoelectric (TE) materials create a brand new perspective to search for high-efficiency TE materials, due to their small thermal conductivity. The overlap of pz orbitals, commonly existing in organic π-stacking semiconductors, can potentially result in high electronic mobility comparable to inorganic electronics. Here we propose a strategy to utilize the overlap of pz orbitals to increase the TE efficiency of layered polymeric carbon nitride (PCN). Through first-principles calculations and classical molecular dynamics simulations, we find that A-A stacked PCN has unexpectedly high cross-plane ZT up to 0.52 at 300 K, which can contribute to n-type TE groups. The high ZT originates from its one-dimensional charge transport and small thermal conductivity. The thermal contribution of the overlap of pz orbitals is investigated, which noticeably enhances the thermal transport when compared with the thermal conductivity without considering the overlap effect. For a better understanding of its TE advantages, we find that the low-dimensional charge transport results from strong pz-overlap interactions and the in-plane electronic confinement, by comparing π-stacking carbon nitride derivatives and graphite. This study can provide a guidance to search for high cross-plane TE performance in layered materials. △ Less

Submitted 19 November, 2018; v1 submitted 1 March, 2017; originally announced March 2017.

Comments: 22 pages and 4 figures

Generalized two-temperature model for coupled phonons

Authors: Meng An, Qichen Song, Xiaoxiang Yu, Han Meng, Dengke Ma, Ruiyang Li, Zelin Jin, Baoling Huang, Nuo Yang

Abstract: The design of graphene-based composite with high thermal conductivity requires a comprehensive understanding of phonon coupling in graphene. We extended the two-temperature model to coupled groups of phonon. The study give new physical quantities, the phonon-phonon coupling factor and length, to characterize the couplings quantitatively. Besides, our proposed coupling length has an obvious depende… ▽ More The design of graphene-based composite with high thermal conductivity requires a comprehensive understanding of phonon coupling in graphene. We extended the two-temperature model to coupled groups of phonon. The study give new physical quantities, the phonon-phonon coupling factor and length, to characterize the couplings quantitatively. Besides, our proposed coupling length has an obvious dependence on system size. Our studies can not only observe the nonequilibrium between different groups of phonon, but explain theoretically the thermal resistance inside graphene. △ Less

Submitted 26 July, 2017; v1 submitted 17 February, 2017; originally announced February 2017.

Comments: 4figures

Highly anisotropic electronic transport properties of monolayer and bilayer phosphorene from first principles

Authors: Zhenghe Jin, Jeffrey T. Mullen, Ki Wook Kim

Abstract: The intrinsic carrier transport dynamics in phosphorene is theoretically examined. Utilizing a density functional theory treatment, the low-field mobility and the saturation velocity are characterized for both electrons and holes in the monolayer and bilayer structures. The analysis clearly elucidates the crystal orientation dependence manifested through the anisotropic band structure and the carr… ▽ More The intrinsic carrier transport dynamics in phosphorene is theoretically examined. Utilizing a density functional theory treatment, the low-field mobility and the saturation velocity are characterized for both electrons and holes in the monolayer and bilayer structures. The analysis clearly elucidates the crystal orientation dependence manifested through the anisotropic band structure and the carrier-phonon scattering rates. In the monolayer, the hole mobility in the armchair direction is estimated to be approximately five times larger than in the zigzag direction at room temperature (460 cm$^2$/Vs vs. 90 cm$^2$/Vs). The bilayer transport, on the other hand, exhibits a more modest anisotropy with substantially higher mobilities (1610 cm$^2$/Vs and 760 cm$^2$/Vs, respectively). The calculations on the conduction-band electrons indicate a comparable dependence while the characteristic values are generally smaller by about a factor of two. The variation in the saturation velocity is found to be less pronounced. With the anticipated superior performance and the diminished anisotropy, few-layer phosphorene offers a promising opportunity particularly in p-type applications. △ Less

Submitted 14 May, 2016; originally announced May 2016.