Showing 1–50 of 50 results for author: Wei, N

Tunneling spectroscopy of two-dimensional superconductors with the quantum twisting microscope

Authors: Nemin Wei, Felix von Oppen, Leonid I. Glazman

Abstract: The ongoing discoveries of graphene-based superconductors underscore the quest to understand the structure of new superconducting orders. We develop a theory that facilitates the use of the quantum twisting microscope (QTM) for that purpose. This work investigates momentum-conserving tunneling across a planar junction formed by a normal monolayer graphene tip and a superconducting graphene sample… ▽ More The ongoing discoveries of graphene-based superconductors underscore the quest to understand the structure of new superconducting orders. We develop a theory that facilitates the use of the quantum twisting microscope (QTM) for that purpose. This work investigates momentum-conserving tunneling across a planar junction formed by a normal monolayer graphene tip and a superconducting graphene sample within the QTM setting. We show that the bias dependence of the zero-temperature tunneling conductance exhibits singularities that provide momentum-resolved information about the Bogoliubov quasiparticle spectra, including the superconducting gap. Using a model of superconducting twisted bilayer graphene (TBG), we illustrate that simultaneously tuning the tip doping level and the tip-sample twist angle allows for measuring the momentum-resolved superconducting gap in TBG. Our results indicate that momentum-conserving tunneling spectroscopy with the QTM is a promising method for exploring superconductivity in two-dimensional van der Waals materials. △ Less

Submitted 26 September, 2025; originally announced September 2025.

Comments: 17 pages, 8 figures

Localized Excitons and Landau-Level Mixing in Time-Reversal Symmetric Pairs of Chern Bands

Authors: Guopeng Xu, Nemin Wei, Inti Sodemann Villadiego, Chunli Huang

Abstract: We study Landau-level mixing in a time-reversal-symmetric Hamiltonian composed of two sets of Landau levels with opposite magnetic field, relevant to moiré minibands in twisted homobilayer transition-metal dichalcogenides in the adiabatic limit, where electrons in opposite valleys have flat Chern bands with opposite Chern numbers. Strong spin-orbit coupling polarizes spins in opposite directions i… ▽ More We study Landau-level mixing in a time-reversal-symmetric Hamiltonian composed of two sets of Landau levels with opposite magnetic field, relevant to moiré minibands in twisted homobilayer transition-metal dichalcogenides in the adiabatic limit, where electrons in opposite valleys have flat Chern bands with opposite Chern numbers. Strong spin-orbit coupling polarizes spins in opposite directions in opposite valleys, separating Coulomb interactions into like-spin ($V^{\uparrow\uparrow}$) and opposite-spin ($V^{\uparrow\downarrow}$). Using degenerate perturbation theory, we compute Landau-level mixing corrections to $V^{\uparrow\uparrow}$ and $V^{\uparrow\downarrow}$ for different filling fractions. In the lowest Landau level, screening exhibits an even-odd effect: $V^{\uparrow\uparrow}$ is reduced more strongly than $V^{\uparrow\downarrow}$ in even-$m$ angular momentum Haldane pseudopotential and less strongly in odd-$m$ angular momentum ones. In the first Landau level, the short-range part ($m=0,1$) of $V^{\uparrow\downarrow}$ is reduced comparably to $V^{\uparrow\uparrow}$, while the strongest spin anisotropy appears in the $m=2$ pseudopotential. These novel short-range spin correlations have important implications for candidate correlated phases of fractional quantum spin Hall insulators. A distinctive feature of this time-reversal-symmetric Hamiltonian, absent in conventional quantum Hall systems, is that spin-flip excitations form localized quasiparticles. We compute their excitation spectrum and predict a non-monotonic dependence of the ordering temperature of Chern ferromagnetism in MoTe$_2$ on the Landau-level mixing parameter. △ Less

Submitted 22 September, 2025; originally announced September 2025.

Comments: 28 pages, 6 figures, comments are welcome

Topological excitonic insulators in electron bilayers modulated by twisted hBN

Authors: Yongxin Zeng, Allan H. MacDonald, Nemin Wei

Abstract: Equilibrium interlayer exciton condensation is common in bilayer quantum Hall systems and is characterized by spontaneous phase coherence between isolated layers. It has been predicted that similar physics can occur in the absence of a magnetic field in some two-dimensional semiconductor bilayers. In this work we consider the case of two transition metal dichalcogenide (TMD) monolayers separated b… ▽ More Equilibrium interlayer exciton condensation is common in bilayer quantum Hall systems and is characterized by spontaneous phase coherence between isolated layers. It has been predicted that similar physics can occur in the absence of a magnetic field in some two-dimensional semiconductor bilayers. In this work we consider the case of two transition metal dichalcogenide (TMD) monolayers separated by a twisted hexagonal boron nitride (hBN) bilayer or multilayer. The hBN layers suppress tunneling between the TMD layers so that phase coherence is spontaneous when it is present. When twisted, the hBN layers also form a ferroelectric moiré pattern that applies opposite triangular-lattice modulation potentials to the two TMD layers. We show via mean-field theory that at total hole filling per moiré unit cell $ν=1$, this geometry can favor a chiral p-wave exciton condensate state in which the quantum anomalous Hall effect coexists with counter-flow superfluidity. We present a mean-field phase diagram for TMD hole bilayers modulated by twisted hBN, discuss the conditions needed for the realization of the p-wave condensate state, and propose experiments that could confirm its presence. △ Less

Submitted 13 September, 2025; originally announced September 2025.

Dis-GEN: Disordered crystal structure generation

Authors: Martin Hoffmann Petersen, Ruiming Zhu, Haiwen Dai, Savyasanchi Aggarwal, Nong Wei, Andy Paul Chen, Arghya Bhowmik, Juan Maria Garcia Lastra, Kedar Hippalgaonkar

Abstract: A wide range of synthesized crystalline inorganic materials exhibit compositional disorder, where multiple atomic species partially occupy the same crystallographic site. As a result, the physical and chemical properties of such materials are dependent on how the atomic species are distributed among the corresponding symmetrical sites, making them exceptionally challenging to model using computati… ▽ More A wide range of synthesized crystalline inorganic materials exhibit compositional disorder, where multiple atomic species partially occupy the same crystallographic site. As a result, the physical and chemical properties of such materials are dependent on how the atomic species are distributed among the corresponding symmetrical sites, making them exceptionally challenging to model using computational methods. For this reason, existing generative models cannot handle the complexities of disordered inorganic crystals. To address this gap, we introduce Dis-GEN, a generative model based on an empirical equivariant representation, derived from theoretical crystallography methodology. Dis-GEN is capable of generating symmetry-consistent structures that accommodate both compositional disorder and vacancies. The model is uniquely trained on experimental structures from the Inorganic Crystal Structure Database (ICSD) - the world's largest database of identified inorganic crystal structures. We demonstrate that Dis-GEN can effectively generate disordered inorganic materials while preserving crystallographic symmetry throughout the generation process. This approach provides a critical check point for the systematic exploration and discovery of disordered functional materials, expanding the scope of generative modeling in materials science. △ Less

Submitted 24 July, 2025; originally announced July 2025.

Theory of plasmon spectroscopy with the quantum twisting microscope

Authors: Nemin Wei, Francisco Guinea, Felix von Oppen, Leonid I. Glazman

Abstract: We consider plasmon-assisted electron tunneling in a quantum twisting microscope (QTM). The dependence of the differential conductance on the two control parameters of the QTM -- the twist angle and bias -- reveals the plasmon spectrum as well as the strength of plasmon-electron interactions in the sample. We perform microscopic calculations for twisted bilayer graphene (TBG), to predict the plasm… ▽ More We consider plasmon-assisted electron tunneling in a quantum twisting microscope (QTM). The dependence of the differential conductance on the two control parameters of the QTM -- the twist angle and bias -- reveals the plasmon spectrum as well as the strength of plasmon-electron interactions in the sample. We perform microscopic calculations for twisted bilayer graphene (TBG), to predict the plasmon features in the tunneling spectra of TBG close to the magic angle for different screening environments. Our work establishes a general framework for inelastic tunneling spectroscopy of collective electronic excitations using the quantum twisting microscope. △ Less

Submitted 5 June, 2025; originally announced June 2025.

Comments: 21 pages, 12 figures

NEP-MB-pol: A unified machine-learned framework for fast and accurate prediction of water's thermodynamic and transport properties

Authors: Ke Xu, Ting Liang, Nan Xu, Penghua Ying, Shunda Chen, Ning Wei, Jianbin Xu, Zheyong Fan

Abstract: Water's unique hydrogen-bonding network and anomalous properties pose significant challenges for accurately modeling its structural, thermodynamic, and transport behavior across varied conditions. Although machine-learned potentials have advanced the prediction of individual properties, a unified computational framework capable of simultaneously capturing water's complex and subtle properties with… ▽ More Water's unique hydrogen-bonding network and anomalous properties pose significant challenges for accurately modeling its structural, thermodynamic, and transport behavior across varied conditions. Although machine-learned potentials have advanced the prediction of individual properties, a unified computational framework capable of simultaneously capturing water's complex and subtle properties with high accuracy has remained elusive. Here, we address this challenge by introducing NEP-MB-pol, a highly accurate and efficient neuroevolution potential (NEP) trained on extensive many-body polarization (MB-pol) reference data approaching coupled-cluster-level accuracy, combined with path-integral molecular dynamics and quantum-correction techniques to incorporate nuclear quantum effects. This NEP-MB-pol framework reproduces experimentally measured structural, thermodynamic, and transport properties of water across a broad temperature range, achieving simultaneous, fast, and accurate prediction of self-diffusion coefficient, viscosity, and thermal conductivity. Our approach provides a unified and robust tool for exploring thermodynamic and transport properties of water under diverse conditions, with significant potential for broader applications across research fields. △ Less

Submitted 19 November, 2024; v1 submitted 14 November, 2024; originally announced November 2024.

Comments: 12 pages, 4 figures in the main text; 8 figures in the SI

Journal ref: npj Computational Materials, 11, 279 (2025)

Dirac-point spectroscopy of flat-band systems with the quantum twisting microscope

Authors: Nemin Wei, Felix von Oppen, Leonid I. Glazman

Abstract: Motivated by the recent development of the quantum twisting microscope, we formulate a theory of elastic momentum-resolved tunneling across a planar tunnel junction between a monolayer graphene layer situated on a tip and a twisting graphene-based sample. We elucidate features in the dependence of the tunnel current on bias and twist angle, which reflect the sample band structure and allow the tip… ▽ More Motivated by the recent development of the quantum twisting microscope, we formulate a theory of elastic momentum-resolved tunneling across a planar tunnel junction between a monolayer graphene layer situated on a tip and a twisting graphene-based sample. We elucidate features in the dependence of the tunnel current on bias and twist angle, which reflect the sample band structure and allow the tip to probe the momentum-and energy-resolved single-particle excitations of the sample. While the strongest features originate from the Fermi edge of the tip, we argue that features associated with the tip Dirac points provide a more immediate and precise map of the sample band structure. We specifically compute the low-temperature tunneling spectrum of magic angle twisted bilayer graphene (MATBG) rotated relative to the tip by nearly commensurate angles, highlighting the potential of Dirac-point spectroscopy to measure single-particle spectral functions of flat bands along specific lines in reciprocal space. Furthermore, our analysis of tunneling matrix elements suggests a method to extract the ratio of the intra-and inter-sublattice tunneling parameters $w_0/w_1$ of MATBG from the differential tunneling conductance. Finally, we discuss signatures of $C_{3z}$ symmetry breaking in the tunneling spectrum using strained MATBG as an example. Our work establishes a general theoretical framework for Dirac-point spectroscopy of flat-band systems using the quantum twisting microscope. △ Less

Submitted 10 October, 2024; originally announced October 2024.

Comments: 26 pages, 12 figures

Magnetism in the Dilute Electron Gas of Rhombohedral Multilayer Graphene

Authors: Tobias Wolf, Nemin Wei, Haoxin Zhou, Chunli Huang

Abstract: Lightly-doped rhombohedral multilayer graphene has recently emerged as one of the most promising material platforms for exploring electronic phases driven by strong Coulomb interactions and non-trivial band topology. This review highlights recent advancements in experimental techniques that deepen our understanding of the electronic properties of these systems, especially through the application o… ▽ More Lightly-doped rhombohedral multilayer graphene has recently emerged as one of the most promising material platforms for exploring electronic phases driven by strong Coulomb interactions and non-trivial band topology. This review highlights recent advancements in experimental techniques that deepen our understanding of the electronic properties of these systems, especially through the application of weak-field magnetic oscillations for studying phase transitions and Fermiology. Theoretically, we advocate modeling these systems using an electron gas framework, influenced primarily by two major energy scales: the long-range Coulomb potential and band energy. The interplay between these energies drives transitions between paramagnetic and ferromagnetic states, while smaller energy scales like spin-orbit coupling and sublattice-valley-dependent interactions at the atomic lattice scale shape the (magnetic anisotropic energy) differences between distinct symmetry-broken states. We provide first-principles estimates of lattice-scale coupling constants for Bernal bilayer graphene under strong displacement field, identifying the on-site inter-valley scattering repulsion, with a strength of $g_{\perp \perp}=269\text{meV nm}^2$ as the most significant short-range interaction. The mean-field phase diagram is analyzed and compared with experimental phase diagrams. New results on spin and valley paramagnons are presented, highlighting enhanced paramagnetic susceptibility at finite wavevectors and predicting valley and spin density-wave instabilities. The interplay between superconductivity and magnetism, particularly under the influence of spin-orbit coupling, is critically assessed. The review concludes with a summary of key findings and potential directions for future research. △ Less

Submitted 28 August, 2024; originally announced August 2024.

Comments: 35 pages. 16 Figures. Comments are welcome

Orbital Competition in Bilayer Graphene's Fractional Quantum Hall Effect

Authors: Bishoy M. Kousa, Nemin Wei, Allan H. MacDonald

Abstract: The lowest Landau level of bilayer graphene has an octet of internal degrees of freedom, composed from spin, valley and orbital two-level systems. Dominance of $n=0$ orbitals over $n=1$ orbitals in low energy quantum fluctuations leads to distinct fractional quantum Hall characteristics compared dominance of $n=1$ over $n=0$. The competition between $n=0$ and $n=1$ orbitals depends sensitively on… ▽ More The lowest Landau level of bilayer graphene has an octet of internal degrees of freedom, composed from spin, valley and orbital two-level systems. Dominance of $n=0$ orbitals over $n=1$ orbitals in low energy quantum fluctuations leads to distinct fractional quantum Hall characteristics compared dominance of $n=1$ over $n=0$. The competition between $n=0$ and $n=1$ orbitals depends sensitively on particle-hole asymmetry and on Lamb shifts due to exchange interactions with the negative energy sea, which must be accounted for simultaneously in assessing the orbital competition. We identify the circumstances under which $n=1$, which supports strong even-denominator FQH states with non-abelian quasiparticles, emerges robustly as the low-energy Landau level. △ Less

Submitted 15 February, 2024; originally announced February 2024.

Landau-Level Mixing and SU(4) Symmetry Breaking in Graphene

Authors: Nemin Wei, Guopeng Xu, Inti Sodemann Villadiego, Chunli Huang

Abstract: Recent scanning tunneling microscopy experiments on graphene at charge neutrality under strong magnetic fields have uncovered a ground state characterized by Kekulé distortion (KD). In contrast, non-local spin and charge transport experiments in double-encapsulated graphene, which has a higher dielectric constant, have identified an antiferromagnetic (AF) ground state. We propose a mechanism to re… ▽ More Recent scanning tunneling microscopy experiments on graphene at charge neutrality under strong magnetic fields have uncovered a ground state characterized by Kekulé distortion (KD). In contrast, non-local spin and charge transport experiments in double-encapsulated graphene, which has a higher dielectric constant, have identified an antiferromagnetic (AF) ground state. We propose a mechanism to reconcile these conflicting observations, by showing that Landau-level mixing can drive a transition from AF to KD with the reduction of the dielectric screening. Our conclusion is drawn from studying the effect of Landau-level mixing on the lattice-scale, valley-dependent interactions to leading order in graphene's fine structure constant $κ= e^2/(\hbar v_F ε)$. This analysis provides three key insights: 1) Valley-dependent interactions remain predominantly short-range with the $m=0$ Haldane pseudopotential being at least an order of magnitude greater than the others, affirming the validity of delta-function approximation for these interactions. 2) The phase transition between the AF and KD states is driven by the microscopic process in the double-exchange Feynman diagram. 3) The magnitudes of the coupling constants are significantly boosted by remote Landau levels. Our model also provides a theoretical basis for numerical studies of fractional quantum Hall states in graphene. △ Less

Submitted 23 January, 2024; originally announced January 2024.

Comments: Main text: 4 Pages, 2 figures; Supplementary Material: 9 Pages, 5 figures

Gate-tunable topological phases in superlattice modulated bilayer graphene

Authors: Yongxin Zeng, Tobias M. R. Wolf, Chunli Huang, Nemin Wei, Sayed Ali Akbar Ghorashi, Allan H. MacDonald, Jennifer Cano

Abstract: Superlattice potential modulation can produce flat minibands in Bernal-stacked bilayer graphene. In this work we study how band topology and interaction-induced symmetry-broken phases in this system are controlled by tuning the displacement field and the shape and strength of the superlattice potential. We use an analytic perturbative analysis to demonstrate that topological flat bands are favored… ▽ More Superlattice potential modulation can produce flat minibands in Bernal-stacked bilayer graphene. In this work we study how band topology and interaction-induced symmetry-broken phases in this system are controlled by tuning the displacement field and the shape and strength of the superlattice potential. We use an analytic perturbative analysis to demonstrate that topological flat bands are favored by a honeycomb-lattice-shaped potential, and numerics to show that the robustness of topological bands depends on both the displacement field strength and the periodicity of the superlattice potential. At integer fillings of the topological flat bands, the strength of the displacement field and the superlattice potential tune phase transitions between quantum anomalous Hall insulator, trivial insulator, and metallic states. We present mean-field phase diagrams in a gate voltage parameter space at filling factor $ν=1$, and discuss the prospects of realizing quantum anomalous Hall insulators and fractional Chern insulators when the superlattice potential modulation is produced by dielectric patterning or adjacent moiré materials. △ Less

Submitted 8 January, 2024; originally announced January 2024.

Journal ref: Phys. Rev. B 109, 195406 (2024)

Weak localization as a probe of intervalley coherence in graphene multilayers

Authors: Nemin Wei, Yongxin Zeng, A. H. MacDonald

Abstract: Spontaneous intervalley coherence is suspected in several different graphene multilayer systems, but is difficult to confirm because of a paucity of convenient experimental signatures. Here we suggest that magneto-conductance features associated with quantum corrections to Drude conductivity can serve as a smoking gun for intervalley coherence that does not break time-reversal symmetry. In this cl… ▽ More Spontaneous intervalley coherence is suspected in several different graphene multilayer systems, but is difficult to confirm because of a paucity of convenient experimental signatures. Here we suggest that magneto-conductance features associated with quantum corrections to Drude conductivity can serve as a smoking gun for intervalley coherence that does not break time-reversal symmetry. In this class of ordered multilayer quantum transport corrections can produce weak localization or weak antilocalization, depending on whether the valley order belongs to the orthogonal or symplectic symmetry class. Our analysis motivates low-temperature weak-field magnetoresistance measurements in graphene multilayers in which time-reversal invariant intervalley coherent order is conjectured. △ Less

Submitted 18 December, 2023; originally announced December 2023.

Comments: Main text: 5 pages, 3 figures; Supplementary materials: 12 page, 4 figures

Predicting emergence of crystals from amorphous matter with deep learning

Authors: Muratahan Aykol, Amil Merchant, Simon Batzner, Jennifer N. Wei, Ekin Dogus Cubuk

Abstract: Crystallization of the amorphous phases into metastable crystals plays a fundamental role in the formation of new matter, from geological to biological processes in nature to synthesis and development of new materials in the laboratory. Predicting the outcome of such phase transitions reliably would enable new research directions in these areas, but has remained beyond reach with molecular modelin… ▽ More Crystallization of the amorphous phases into metastable crystals plays a fundamental role in the formation of new matter, from geological to biological processes in nature to synthesis and development of new materials in the laboratory. Predicting the outcome of such phase transitions reliably would enable new research directions in these areas, but has remained beyond reach with molecular modeling or ab-initio methods. Here, we show that crystallization products of amorphous phases can be predicted in any inorganic chemistry by sampling the crystallization pathways of their local structural motifs at the atomistic level using universal deep learning potentials. We show that this approach identifies the crystal structures of polymorphs that initially nucleate from amorphous precursors with high accuracy across a diverse set of material systems, including polymorphic oxides, nitrides, carbides, fluorides, chlorides, chalcogenides, and metal alloys. Our results demonstrate that Ostwald's rule of stages can be exploited mechanistically at the molecular level to predictably access new metastable crystals from the amorphous phase in material synthesis. △ Less

Submitted 2 October, 2023; originally announced October 2023.

Comments: 5 main figures, 4 supplementary figures

Magic Angles and Fractional Chern Insulators in Twisted Homobilayer TMDs

Authors: Nicolás Morales-Durán, Nemin Wei, Jingtian Shi, Allan H. MacDonald

Abstract: We explain the appearance of magic angles and fractional Chern insulators in twisted K-valley homobilayer transition metal dichalcogenides by mapping their continuum model to a Landau level problem. Our approach relies on an adiabatic approximation for the quantum mechanics of valence band holes in a layer-pseudospin field that is valid for sufficiently small twist angles and on a lowest Landau le… ▽ More We explain the appearance of magic angles and fractional Chern insulators in twisted K-valley homobilayer transition metal dichalcogenides by mapping their continuum model to a Landau level problem. Our approach relies on an adiabatic approximation for the quantum mechanics of valence band holes in a layer-pseudospin field that is valid for sufficiently small twist angles and on a lowest Landau level approximation that is valid for sufficiently large twist angles. It simply explains why the quantum geometry of the lowest moiré miniband is nearly ideal at particular flat-band twist angles, predicts that topological flat bands occur only when the valley-dependent moiré potential is sufficiently strong compared to the interlayer tunneling amplitude, and provides a powerful starting point for the study of interactions △ Less

Submitted 12 December, 2023; v1 submitted 6 August, 2023; originally announced August 2023.

Comments: 14 pages, 5 figures

Journal ref: Phys. Rev. Lett. 132, 096602 (2024)

Partial condensation of mobile excitons in graphene multilayers

Authors: Igor V. Blinov, Chunli Huang, Nemin Wei, Qin Wei, Tobias Wolf, Allan H. MacDonald

Abstract: At a large displacement field, in rhomboedral and Bernal-stacked graphene a normal paramagnetic state transitions to a correlated state. Recent experiments showed that such systems have several phase transitions as a function of the carrier density. The phase adjacent to a paramagnetic state has anomalously high resistance and reduced degeneracy of the Fermi sea. We show that both phenomena can be… ▽ More At a large displacement field, in rhomboedral and Bernal-stacked graphene a normal paramagnetic state transitions to a correlated state. Recent experiments showed that such systems have several phase transitions as a function of the carrier density. The phase adjacent to a paramagnetic state has anomalously high resistance and reduced degeneracy of the Fermi sea. We show that both phenomena can be explained through a concept of partial intervalley exciton condensation: a fraction of particles condenses into excitons, and another forms an intervalley coherent Fermi liquid. The exciton part of the system do not contribute to the electrical current thus increasing the resistance. Within this paradigm, the increase in the resistance has entirely geometrical origin. We check validity of the phenomenological theory through numerical calculations. We also show that the quantum oscillation data should not be very different between the partial excitonic state and the intervalley coherent states suggested by other authors. Further, we suggest STM/AFM or Raman spectroscopy to have a conclusive evidence for the occurrence of the partial exciton condensation that we suggest in this paper. △ Less

Submitted 30 March, 2023; originally announced March 2023.

Layer Pseudospin Magnetism in Transition-Metal-Dichalcogenide Double-Moirés

Authors: Yongxin Zeng, Nemin Wei, Allan H. MacDonald

Abstract: Spontaneous order of layer pseudospins in two-dimensional bilayers is common in quantum Hall systems, where it is responsible for hysteretic responses to gate fields in states with Ising order, and giant drag voltages in states with XY (spontaneous inter-layer phase coherence) order. In this article we predict that layer pseudospin order will also occur in double-moiré strongly correlated two-dime… ▽ More Spontaneous order of layer pseudospins in two-dimensional bilayers is common in quantum Hall systems, where it is responsible for hysteretic responses to gate fields in states with Ising order, and giant drag voltages in states with XY (spontaneous inter-layer phase coherence) order. In this article we predict that layer pseudospin order will also occur in double-moiré strongly correlated two-dimensional electron systems. We comment on similarities and differences in the competition between the two types of order in quantum Hall and double-moiré systems, and relate our findings to previous work on Falicov-Kimball models of electronic ferroelectrics. △ Less

Submitted 26 May, 2022; originally announced May 2022.

Comments: 13 pages, 4 figures

Spin and Orbital Metallic Magnetism in Rhombohedral Trilayer Graphene

Authors: Chunli Huang, Tobias Wolf, Wei Qin, Nemin Wei, Igor Blinov, Allan MacDonald

Abstract: We provide a complete theoretical interpretation of the metallic broken spin/valley symmetry states recently discovered in ABC trilayer graphene (ABC) perturbed by a large transverse displacement field. Our conclusions combine insights from ABC trilayer graphene electronic structure models and mean field theory, and are guided by precise magneto-oscillation Fermi-surface-area measurements. We conc… ▽ More We provide a complete theoretical interpretation of the metallic broken spin/valley symmetry states recently discovered in ABC trilayer graphene (ABC) perturbed by a large transverse displacement field. Our conclusions combine insights from ABC trilayer graphene electronic structure models and mean field theory, and are guided by precise magneto-oscillation Fermi-surface-area measurements. We conclude that the physics of ABC trilayer graphene is shaped by the principle of momentum-space condensation, which favors Fermi surface reconstructions enabled by broken spin/valley flavor symmetries when the single-particle bands imply thin annular Fermi seas. We find one large outer Fermi surface enclosed majority-flavor states and one or more small inner hole-like Fermi surfaces enclosed minority-flavor states that are primarily responsible for nematic order. The smaller surfaces can rotate along a ring of van-Hove singularities or reconstruct into multiple Fermi surfaces with little cost in energy. We propose that the latter property is responsible for the quantum oscillation frequency fractionalization seen experimentally in some regions of the carrier-density/displacement-field phase diagram. △ Less

Submitted 23 March, 2022; originally announced March 2022.

Comments: 4+2 pages

Functional Renormalization Group Study of Superconductivity in Rhombohedral Trilayer Graphene

Authors: Wei Qin, Chunli Huang, Tobias Wolf, Nemin Wei, Igor Blinov, Allan H. MacDonald

Abstract: We employ a functional renormalization group approach to ascertain the pairing mechanism and symmetry of the superconducting phase observed in rhombohedral trilayer graphene. Superconductivity in this system occurs in a regime of carrier density and displacement field with a weakly distorted annular Fermi sea. We find that repulsive Coulomb interactions can induce electron pairing on the Fermi sur… ▽ More We employ a functional renormalization group approach to ascertain the pairing mechanism and symmetry of the superconducting phase observed in rhombohedral trilayer graphene. Superconductivity in this system occurs in a regime of carrier density and displacement field with a weakly distorted annular Fermi sea. We find that repulsive Coulomb interactions can induce electron pairing on the Fermi surface by taking advantage of momentum-space structure associated with the finite width of the Fermi sea annulus. The degeneracy between spin-singlet and spin-triplet pairing is lifted by valley-exchange interactions that strengthen under the RG flow and develop nontrivial momentum-space structure. We find that the leading pairing instability is $d$-wave-like and spin-singlet, and that the theoretical phase diagram versus carrier density and displacement field agrees qualitatively with experiment. △ Less

Submitted 20 March, 2023; v1 submitted 17 March, 2022; originally announced March 2022.

Comments: 7+24 pages, 5+14 figures, 1+3 tables

Pseudospin Paramagnons and the Superconducting Dome in Magic Angle Twisted Bilayer Graphene

Authors: Chunli Huang, Nemin Wei, Wei Qin, Allan MacDonald

Abstract: We present a theory of superconductivity in twisted bilayer graphene in which attraction is generated between electrons on the same honeycomb sublattice when the system is close to a sublattice polarization instability. The resulting Cooper pairs are spin-polarized valley-singlets. Because the sublattice polarizability is mainly contributed by interband fluctuations, superconductivity occurs over… ▽ More We present a theory of superconductivity in twisted bilayer graphene in which attraction is generated between electrons on the same honeycomb sublattice when the system is close to a sublattice polarization instability. The resulting Cooper pairs are spin-polarized valley-singlets. Because the sublattice polarizability is mainly contributed by interband fluctuations, superconductivity occurs over a wide range of filling fraction. It is suppressed by i) applying a sublattice polarizing field (generated by an aligned BN substrate) or ii) changing moiré band filling to favor valley polarization. The enhanced intrasublattice attraction close to sublattice polarization instability is analogous to enhanced like-spin attraction in liquid $^3$He near the melting curve and the enhanced valley-singlet repulsion close to valley-polarization instabilities is analogous to enhanced spin-singlet repulsion in metals that are close to a ferromagnetic instability. We comment on the relationship between our pseudospin paramagnon model and the rich phenomenology of superconductivity in twisted bilayer and multilayer graphene. △ Less

Submitted 25 October, 2021; originally announced October 2021.

Comments: maintext 5 pages, 3 figures

Strong-Magnetic-Field Magnon Transport in Monolayer Graphene

Authors: Haoxin Zhou, Chunli Huang, Nemin Wei, Takashi Taniguchi, Kenji Watanabe, Michael P. Zaletel, Zlatko Papić, Allan H. MacDonald, Andrea F. Young

Abstract: At high magnetic fields, monolayer graphene hosts competing phases distinguished by their breaking of the approximate SU(4) isospin symmetry. Recent experiments have observed an even denominator fractional quantum Hall state thought to be associated with a transition in the underlying isospin order from a spin-singlet charge density wave at low magnetic fields to an antiferromagnet at high magneti… ▽ More At high magnetic fields, monolayer graphene hosts competing phases distinguished by their breaking of the approximate SU(4) isospin symmetry. Recent experiments have observed an even denominator fractional quantum Hall state thought to be associated with a transition in the underlying isospin order from a spin-singlet charge density wave at low magnetic fields to an antiferromagnet at high magnetic fields, implying that a similar transition must occur at charge neutrality. However, this transition does not generate contrast in typical electrical transport or thermodynamic measurements and no direct evidence for it has been reported, despite theoretical interest arising from its potentially unconventional nature. Here, we measure the transmission of ferromagnetic magnons through the two dimensional bulk of clean monolayer graphene. Using spin polarized fractional quantum Hall states as a benchmark, we find that magnon transmission is controlled by the detailed properties of the low-momentum spin waves in the intervening Hall fluid, which is highly density dependent. Remarkably, as the system is driven into the antiferromagnetic regime, robust magnon transmission is restored across a wide range of filling factors consistent with Pauli blocking of fractional quantum hall spin-wave excitations and their replacement by conventional ferromagnetic magnons confined to the minority graphene sublattice. Finally, using devices in which spin waves are launched directly into the insulating charge-neutral bulk, we directly detect the hidden phase transition between bulk insulating charge density wave and a canted antiferromagnetic phases at charge neutrality, completing the experimental map of broken-symmetry phases in monolayer graphene. △ Less

Submitted 1 February, 2021; originally announced February 2021.

Journal ref: Phys. Rev. X 12, 021060 (2022)

Scattering of magnons at graphene quantum-Hall-magnet junctions

Authors: Nemin Wei, Chunli Huang, Allan H. MacDonald

Abstract: Motivated by recent non-local transport studies of quantum-Hall-magnet (QHM) states formed in monolayer graphene's $N=0$ Landau level, we study the scattering of QHM magnons by gate-controlled junctions between states with different integer filling factors $ν$. For the $ν=1|-1|1$ geometry we find magnons are weakly scattered by electric potential variation in the junction region, and that the scat… ▽ More Motivated by recent non-local transport studies of quantum-Hall-magnet (QHM) states formed in monolayer graphene's $N=0$ Landau level, we study the scattering of QHM magnons by gate-controlled junctions between states with different integer filling factors $ν$. For the $ν=1|-1|1$ geometry we find magnons are weakly scattered by electric potential variation in the junction region, and that the scattering is chiral when the junction lacks a mirror symmetry. For the $ν=1|0|1$ geometry, %in which the scattering region contains a $ν=0$ canted antiferromagnet, we find that kinematic constraints completely block magnon transmission if the incident angle exceeds a critical value. Our results explain the suppressed non-local-voltage signals observed in the $ν=1|0|1$ case. We use our theory to propose that valley-waves generated at $ν=-1|1$ junctions and magnons can be used in combination to probe the spin/valley flavor structure of QHM states at integer and fractional filling factors. △ Less

Submitted 17 August, 2020; originally announced August 2020.

Journal ref: Phys. Rev. Lett. 126, 117203 (2021)

Current Driven Magnetization Reversal in Orbital Chern Insulators

Authors: Chunli Huang, Nemin Wei, Allan H. MacDonald

Abstract: Graphene multilayers with flat moiré minibands can exhibit the quantized anomalous Hall effect due to the combined influence of spontaneous valley polarization and topologically non-trival valley-projected bands. The sign of the Hall effect in these Chern insulators can be reversed either by applying an external magnetic field, or by driving a transport current through the system. We propose a cur… ▽ More Graphene multilayers with flat moiré minibands can exhibit the quantized anomalous Hall effect due to the combined influence of spontaneous valley polarization and topologically non-trival valley-projected bands. The sign of the Hall effect in these Chern insulators can be reversed either by applying an external magnetic field, or by driving a transport current through the system. We propose a current-driven mechanism whereby reversal occurs along lines in the (current $I$, magnetic-field $B$) control parameter space with slope $dI/dB = (e/h)\, M A_{M} \, (1-γ^2)/γ$, where $M$ is the magnetization, $A_M$ is the moiré unit cell area, and $γ<1$ is the ratio of the chemical potential difference between valleys along a domain wall to the electrical bias $eV$. △ Less

Submitted 20 September, 2020; v1 submitted 12 July, 2020; originally announced July 2020.

Comments: 4 + epsilon pages

Journal ref: Phys. Rev. Lett. 126, 056801 (2021)

Volume explored by a branching random walk on general graphs

Authors: Ignacio Bordeu, Saoirse Amarteifio, Rosalba Garcia-Millan, Benjamin Walter, Nanxin Wei, Gunnar Pruessner

Abstract: Branching processes are used to model diverse social and physical scenarios, from extinction of family names to nuclear fission. However, for a better description of natural phenomena, such as viral epidemics in cellular tissues, animal populations and social networks, a spatial embedding---the branching random walk (BRW)---is required. Despite its wide range of applications, the properties of the… ▽ More Branching processes are used to model diverse social and physical scenarios, from extinction of family names to nuclear fission. However, for a better description of natural phenomena, such as viral epidemics in cellular tissues, animal populations and social networks, a spatial embedding---the branching random walk (BRW)---is required. Despite its wide range of applications, the properties of the volume explored by the BRW so far remained elusive, with exact results limited to one dimension. Here we present analytical results, supported by numerical simulations, on the scaling of the volume explored by a BRW in the critical regime, the onset of epidemics, in general environments. Our results characterise the spreading dynamics on regular lattices and general graphs, such as fractals, random trees and scale-free networks, revealing the direct relation between the graphs' dimensionality and the rate of propagation of the viral process. Furthermore, we use the BRW to determine the spectral properties of real social and metabolic networks, where we observe that a lack of information of the network structure can lead to differences in the observed behaviour of the spreading process. Our results provide observables of broad interest for the characterisation of real world lattices, tissues, and networks. △ Less

Submitted 1 September, 2019; originally announced September 2019.

Comments: 11 pages, 6 figures

Influence of Boundaries and Thermostatting on Nonequilibrium Molecular Dynamics Simulations of Heat Conduction in Solids

Authors: Zhen Li, Shiyun Xiong, Charles Sievers, Yue Hu, Zheyong Fan, Ning Wei, Hua Bao, Shunda Chen, Davide Donadio, Tapio Ala-Nissila

Abstract: Nonequilibrium molecular dynamics (NEMD) has been extensively used to study thermal transport at various length scales in many materials. In this method, two local thermostats at different temperatures are used to generate a nonequilibrium steady state with a constant heat flux. Conventionally, the thermal conductivity of a finite system is calculated as the ratio between the heat flux and the tem… ▽ More Nonequilibrium molecular dynamics (NEMD) has been extensively used to study thermal transport at various length scales in many materials. In this method, two local thermostats at different temperatures are used to generate a nonequilibrium steady state with a constant heat flux. Conventionally, the thermal conductivity of a finite system is calculated as the ratio between the heat flux and the temperature gradient extracted from the linear part of the temperature profile away from the local thermostats. Here we show that, with a proper choice of the thermostat, the nonlinear part of the temperature profile should actually not be excluded in thermal transport calculations. We compare NEMD results against those from the atomistic Green's function method in the ballistic regime, and those from the homogeneous nonequilibrium molecular dynamics method in the ballistic-to-diffusive regime. These comparisons suggest that in all the transport regimes, one should directly calculate the thermal conductance from the temperature difference between the heat source and sink and, if needed, convert it to the thermal conductivity by multiplying it with the system length. Furthermore, we find that the Langevin thermostat outperforms the Nosé-Hoover (chain) thermostat in NEMD simulations because of its stochastic and local nature. We show that this is particularly important for studying asymmetric carbon-based nanostructures, for which the Nosé-Hoover thermostat can produce artifacts leading to unphysical thermal rectification. Our findings are important to obtain correct results from molecular dynamics simulations of nanoscale heat transport as the accuracy of the interatomic potentials is rapidly improving. △ Less

Submitted 27 May, 2019; originally announced May 2019.

Comments: 13 pages, 12 figures

Persistent Threshold Dynamics with Recovery in Complex Networks

Authors: Nanxin Wei, Bo Fan

Abstract: Threshold rules of spreading in binary-state networks lead to cascades. We study persistent cascade-recovery dynamics on quasi-robust networks, i.e., networks which are robust against small trigger but may collapse for larger one. It is observed that depending on the relative rate of triggering and recovery, the network falls into one of the two dynamical phases: collapsing or active phase. We dev… ▽ More Threshold rules of spreading in binary-state networks lead to cascades. We study persistent cascade-recovery dynamics on quasi-robust networks, i.e., networks which are robust against small trigger but may collapse for larger one. It is observed that depending on the relative rate of triggering and recovery, the network falls into one of the two dynamical phases: collapsing or active phase. We devise an analytical framework which characterizes not only the critical behavior but also the temporal evolution of network activity in both phases. Agent-based simulation results show good agreement with the analytical calculations, indicating strong predicative power of our method for persistent cascade dynamics in complex networks. △ Less

Submitted 20 May, 2019; originally announced May 2019.

Gas-phase synthesis of carbon nanotube-graphene heterostructures

Authors: Saeed Ahmad, Hua Jiang, Kimmo Mustonen, Qiang Zhang, Aqeel Hussain, Abu Taher Khan, Nan Wei, Mohammad Tavakkoli, Yongping Liao, Er-Xiong Ding, Jani Kotakoski, Esko I. Kauppinen

Abstract: Graphene and carbon nanotubes (CNTs) share the same atomic structure of hexagonal carbon lattice. Yet, their synthesis differs in many aspects, including the shape and size of the catalyst. Here, we demonstrate a floating-catalyst chemical vapor deposition (FCCVD) technique for substrate-free, single-step growth of CNT-graphene heterostructures (CNT-G-H) using ethylene as a carbon source. The form… ▽ More Graphene and carbon nanotubes (CNTs) share the same atomic structure of hexagonal carbon lattice. Yet, their synthesis differs in many aspects, including the shape and size of the catalyst. Here, we demonstrate a floating-catalyst chemical vapor deposition (FCCVD) technique for substrate-free, single-step growth of CNT-graphene heterostructures (CNT-G-H) using ethylene as a carbon source. The formation of CNT-G-H is directly evidenced by lattice-resolved (scanning) transmission electron microscopy (STEM) and electron diffraction experiments, corroborated by atomic force microscopy (AFM). Our experiments show the relative number density of graphene-nanoflakes can be tuned by optimizing the synthesis conditions. Since in the applied process the formation of the structures take place in gas-suspension, the as-synthesized CNT-G-H films can be deposited on any surface in ambient temperature with an arbitrary thickness. Moreover, this process of CNT-G-H synthesis with strong universality has also been realized in multiple systems of ethylene-based FCCVD with various catalysts and set-ups. △ Less

Submitted 17 April, 2019; originally announced April 2019.

Critical Density of the Abelian Manna Model via a Multi-type Branching Process

Authors: Nanxin Wei, Gunnar Pruessner

Abstract: A multi-type branching process is introduced to mimic the evolution of the avalanche activity and determine the critical density of the Abelian Manna model. This branching process incorporates partially the spatio-temporal correlations of the activity, which are essential for the dynamics, in particular in low dimensions. An analytical expression for the critical density in arbitrary dimensions is… ▽ More A multi-type branching process is introduced to mimic the evolution of the avalanche activity and determine the critical density of the Abelian Manna model. This branching process incorporates partially the spatio-temporal correlations of the activity, which are essential for the dynamics, in particular in low dimensions. An analytical expression for the critical density in arbitrary dimensions is derived, which significantly improves the results over mean-field theories, as confirmed by comparison to the literature on numerical estimates from simulations. The method can easily be extended to lattices and dynamics other than those studied in the present work. △ Less

Submitted 25 September, 2019; v1 submitted 20 February, 2019; originally announced February 2019.

Comments: 5 pages, 2 figures, 2 tables

Journal ref: Phys. Rev. E 100, 032116 (2019)

Thermal Transport in MoS$_2$ from Molecular Dynamics using Different Empirical Potentials

Authors: Ke Xu, Alexander J. Gabourie, Arsalan Hashemi, Zheyong Fan, Ning Wei, Amir Barati Farimani, Hannu-Pekka Komsa, Arkady V. Krasheninnikov, Eric Pop, Tapio Ala-Nissila

Abstract: Thermal properties of molybdenum disulfide (MoS$_2$) have recently attracted attention related to fundamentals of heat propagation in strongly anisotropic materials, and in the context of potential applications to optoelectronics and thermoelectrics. Multiple empirical potentials have been developed for classical molecular dynamics (MD) simulations of this material, but it has been unclear which p… ▽ More Thermal properties of molybdenum disulfide (MoS$_2$) have recently attracted attention related to fundamentals of heat propagation in strongly anisotropic materials, and in the context of potential applications to optoelectronics and thermoelectrics. Multiple empirical potentials have been developed for classical molecular dynamics (MD) simulations of this material, but it has been unclear which provides the most realistic results. Here, we calculate lattice thermal conductivity of single- and multi-layer pristine MoS$_2$ by employing three different thermal transport MD methods: equilibrium, nonequilibrium, and homogeneous nonequilibrium ones. These methods allow us to verify the consistency of our results and also facilitate comparisons with previous works, where different schemes have been adopted. Our results using variants of the Stillinger-Weber potential are at odds with some previous ones and we analyze the possible origins of the discrepancies in detail. We show that, among the potentials considered here, the reactive empirical bond order (REBO) potential gives the most reasonable predictions of thermal transport properties as compared to experimental data. With the REBO potential, we further find that isotope scattering has only a small effect on thermal conduction in MoS$_2$ and the in-plane thermal conductivity decreases with increasing layer number and saturates beyond about three layers. We identify the REBO potential as a transferable empirical potential for MD simulations of MoS$_2$ which can be used to study thermal transport properties in more complicated situations such as in systems containing defects or engineered nanoscale features. This work establishes a firm foundation for understanding heat transport properties of MoS$_2$ using MD simulations. △ Less

Submitted 18 November, 2018; originally announced November 2018.

Comments: 14 pages, 6 figures

Journal ref: Phys. Rev. B 99, 054303 (2019)

Thermal transport properties of single-layer black phosphorous from extensive molecular dynamics simulations

Authors: Ke Xu, Zheyong Fan, Jicheng Zhang, Ning Wei, Tapio Ala-Nissila

Abstract: We compute the anisotropic in-plane thermal conductivity of suspended single-layer black phosphorous (SLBP) using three molecular dynamics (MD) based methods, including the equilibrium MD method, the nonequilibrium MD (NEMD) method, and the homogeneous nonequilibrium MD (HNEMD) method. Two existing parameterizations of the Stillinger-Weber (SW) potential for SLBP are used. Consistent results are o… ▽ More We compute the anisotropic in-plane thermal conductivity of suspended single-layer black phosphorous (SLBP) using three molecular dynamics (MD) based methods, including the equilibrium MD method, the nonequilibrium MD (NEMD) method, and the homogeneous nonequilibrium MD (HNEMD) method. Two existing parameterizations of the Stillinger-Weber (SW) potential for SLBP are used. Consistent results are obtained for all the three methods and conflicting results from previous MD simulations are critically assessed. Among the three methods, the HNEMD method is the most and the NEMD method the least efficient. The thermal conductivity values from our MD simulations are about an order of magnitude larger than the most recent predictions obtained using the Boltzmann transport equation approach considering long-range interactions in density functional theory calculations, suggesting that the short-range SW potential might be inadequate for describing the phonon anharmonicity in SLBP. △ Less

Submitted 18 October, 2018; v1 submitted 10 May, 2018; originally announced May 2018.

Comments: 9 pages, 9 figures

Journal ref: Modelling Simul. Mater. Sci. Eng. 26, 085001 (2018)

First-principles study of the structural, phonon, elastic, and thermodynamic properties of Al$_{3}$Ta compound under high pressure

Authors: W. Leini, T. Zhang, Z. Wu, N. Wei

Abstract: We have investigated the phonon, elastic and thermodynamic properties of L1$_{2}$ phase Al$_{3}$Ta by density functional theory approach combining with quasi-harmonic approximation model. The results of phonon band structure shows that L1$_{2}$ phase Al$_{3}$Ta possesses dynamical stability in the pressure range from 0 to 80 GPa due to the absence of imaginary frequencies. The pressure dependences… ▽ More We have investigated the phonon, elastic and thermodynamic properties of L1$_{2}$ phase Al$_{3}$Ta by density functional theory approach combining with quasi-harmonic approximation model. The results of phonon band structure shows that L1$_{2}$ phase Al$_{3}$Ta possesses dynamical stability in the pressure range from 0 to 80 GPa due to the absence of imaginary frequencies. The pressure dependences of the elastic constants $C_{ij}$, bulk modulus $B$, shear modulus $G$, Young's modulus $Y$, $B/G$ and Poisson's ratio $ν$ have been analysed. The elastic constants are satisfied with mechanical stability criteria up to the external pressure of 80 GPa. The results of the elastic properties studies show that Al$_{3}$Ta compound possesses a higher hardness, improved ductility and plasticity under higher pressures. Further, we systematically investigate the thermodynamic properties, such as the Debye temperature $Θ$, heat capacity $C_{p}$, and thermal expansion coefficient $α$, and provide the relationships between thermal parameters and pressure. △ Less

Submitted 30 March, 2018; originally announced March 2018.

Comments: 10 pages, 6 figures

Journal ref: Condens. Matter Phys., 2018, vol. 21, No. 1, 13601

Molecular Dynamics Simulations for Anisotropic Thermal Conductivity of Borophene

Authors: Yue Jia, Chun Li, Jin-Wu Jiang, Ning Wei, Yang Chen, Yongjie Jessica Zhang

Abstract: The present work carries out molecular dynamics simulations to compute the thermal conductivity of the borophene nanoribbon and the borophene nanotube using the Muller-Plathe approach. We investigate the thermal conductivity of the armchair and zigzag borophenes, and show the strong anisotropic thermal conductivity property of borophene. We compare the results of the borophene nanoribbon and the b… ▽ More The present work carries out molecular dynamics simulations to compute the thermal conductivity of the borophene nanoribbon and the borophene nanotube using the Muller-Plathe approach. We investigate the thermal conductivity of the armchair and zigzag borophenes, and show the strong anisotropic thermal conductivity property of borophene. We compare the results of the borophene nanoribbon and the borophene nanotube, and find the thermal conductivity of the borophene is structure dependent. △ Less

Submitted 31 May, 2017; originally announced May 2017.

Journal ref: Computers, Materials & Continua, 2020. 5, 63(2): 813~823,

Interfacial thermal conductance in graphene/black phosphorus heterogeneous structures

Authors: Yang Chen, Yingyan Zhang, Kun Cai, Jinwu Jiang, Jin-cheng Zheng, Junhua Zhao, Ning Wei

Abstract: Graphene, as a passivation layer, can be used to protect the black phosphorus from the chemical reaction with surrounding oxygen and water. However, black phosphorus and graphene heterostructures have low efficiency of heat dissipation due to its intrinsic high thermal resistance at the interfaces. The accumulated energy from Joule heat has to be removed efficiently to avoid the malfunction of the… ▽ More Graphene, as a passivation layer, can be used to protect the black phosphorus from the chemical reaction with surrounding oxygen and water. However, black phosphorus and graphene heterostructures have low efficiency of heat dissipation due to its intrinsic high thermal resistance at the interfaces. The accumulated energy from Joule heat has to be removed efficiently to avoid the malfunction of the devices. Therefore, it is of significance to investigate the interfacial thermal dissipation properties and manipulate the properties by interfacial engineering on demand. In this work, the interfacial thermal conductance between few-layer black phosphorus and graphene is studied extensively using molecular dynamics simulations. Two critical parameters, the critical power Pcr to maintain thermal stability and the maximum heat power density Pmax with which the system can be loaded, are identified. Our results show that interfacial thermal conductance can be effectively tuned in a wide range with external strains and interracial defects. The compressive strain can enhance the interfacial thermal conductance by one order of magnitude, while interface defects give a two-fold increase. These findings could provide guidelines in heat dissipation and interfacial engineering for thermal conductance manipulation of black phosphorus-graphene heterostructure-based devices. △ Less

Submitted 17 November, 2016; originally announced November 2016.

Comments: 33 pages, 22 figures

Journal ref: Carbon, 117, 399-410, (2017)

Mechanical behavior of composite double wall nanotubes from carbon and phosphorous

Authors: Kun Cai, Jing Wan, Likui Yang, Ning Wei

Abstract: Black phosphorus is not stable when it is exposed to air. When covered or terminated by single layer carbon atoms, such as graphene carbon nanotube, it is more strongly protected in the rapid degradation than the bare black phosphorus. Moreover, due to weak interaction between phosphorus atoms in black phosphorene, the nanotube obtained by curling single layer black phosphorus is not as stable as… ▽ More Black phosphorus is not stable when it is exposed to air. When covered or terminated by single layer carbon atoms, such as graphene carbon nanotube, it is more strongly protected in the rapid degradation than the bare black phosphorus. Moreover, due to weak interaction between phosphorus atoms in black phosphorene, the nanotube obtained by curling single layer black phosphorus is not as stable as a carbon nanotube at finite temperature. In present work, we recommend a new 1D material, i.e., composite double wall nanotubes from a black phosphorus nanotube with a CNT. The dynamic response of the composite DWNTs is simulated using molecular dynamics approach. The effects of such factors as temperature, slenderness and configurations of DWNTs are discussed. Comparing with a single wall BPNT, the composite DWNTs under uniaxial compression shows some peculiar properties. When the BPNT is embedded in a CNT, the system will not collapse rapidly even if the BPNT has been damaged seriously. △ Less

Submitted 15 July, 2016; originally announced July 2016.

Comments: 13 pages, 6 figures

The identification of the dominant donors in low temperature grown InPBi materials

Authors: G. N. Wei, D. Xing, Q. Feng, W. G. Luo, Y. Y. Li, K. Wang, L. Y. Zhang, W. W. Pan, S. M. Wang, S. Y. Yang, K. Y. Wang

Abstract: Combined with magnetotransport measurements and first-principles calculations, we systematically investigated the effects of Bi incorporation on the electrical properties of the undoped InP1-xBix epilayers with 0<x<2.41%. The Hall-bar measurements reveal a dominant n-type conductivity of the InPBi samples. The electron concentrations are found to decrease firstly as x increases up to x=1.83%, and… ▽ More Combined with magnetotransport measurements and first-principles calculations, we systematically investigated the effects of Bi incorporation on the electrical properties of the undoped InP1-xBix epilayers with 0<x<2.41%. The Hall-bar measurements reveal a dominant n-type conductivity of the InPBi samples. The electron concentrations are found to decrease firstly as x increases up to x=1.83%, and then increase again with further increasing Bi composition, whiles the electron mobility shows an inverse variation to the electron concentration. First-principle calculations suggest that both the phosphorus antisites and vacancy defects are the dominant donors responsible for the high electron concentration. And their defect concentrations show different behaviors as Bi composition x increases, resulting in a nonlinear relationship between electron concentration and Bi composition in InPBi alloys. △ Less

Submitted 29 March, 2016; originally announced March 2016.

Comments: 17 pages, 4 figures, 1 table

Strength and Stability Analysis of a Single Walled Black Phosphorus Tube under Axial Compression

Authors: Kun Cai, Jing Wan, Ning Wei, Qinghua Qin

Abstract: Few-layered black phosphorus materials recently attract much attention due to its special electronic properties. As a Consequence, the nano-tube from a single-layer black phosphorus has been theoretically built. The corresponding electronic properties of such black phosphorus nano-tube were also evaluated numerically. Few-layered black phosphorus materials recently attract much attention due to its special electronic properties. As a Consequence, the nano-tube from a single-layer black phosphorus has been theoretically built. The corresponding electronic properties of such black phosphorus nano-tube were also evaluated numerically. △ Less

Submitted 28 March, 2016; originally announced March 2016.

Comments: 12 pages,8 figures, and 33 references

MSC Class: 74sxx

Superhigh moduli and tension-induced phase transition of monolayer gamma-boron at finite temperatures

Authors: Junhua Zhao, Zhaoyao Yang, Ning Wei, Liangzhi Kou

Abstract: Two dimensional (2D) gamma-boron (γ-B28) thin films have been firstly reported by the experiments of the chemical vapor deposition in the latest study [Tai et al., Angew. Chem. Int. Ed. 54, 1-6 (2015)]. However, their mechanical properties are still not clear. Here we predict the superhigh moduli (1460 GPa at 1 K and 744 GPa at 300 K) and the tension-induced phase transition of monolayer γ-B28 alo… ▽ More Two dimensional (2D) gamma-boron (γ-B28) thin films have been firstly reported by the experiments of the chemical vapor deposition in the latest study [Tai et al., Angew. Chem. Int. Ed. 54, 1-6 (2015)]. However, their mechanical properties are still not clear. Here we predict the superhigh moduli (1460 GPa at 1 K and 744 GPa at 300 K) and the tension-induced phase transition of monolayer γ-B28 along a zigzag direction for large deformations at finite temperatures using molecular dynamics (MD) simulations. The new phase can be kept stable after unloading process at these temperatures. The predicted mechanical properties are reasonable with our results from density functional theory. This study provides physical insights into the origins of the new phase transition of monolayer γ-B28 at finite temperatures. △ Less

Submitted 3 January, 2016; originally announced January 2016.

Comments: 18pages, 4 figures

Theoretical study of the elastic and thermodynamic properties of Pt$_{3}$Al with the L1$_{2}$ structure under high pressure

Authors: N. Wei, Ch. Zhang, S. Hou

Abstract: In this work, the elastic and thermodynamic properties of Pt$_{3}$Al under high pressure are investigated using density functional theory within the generalized gradient approximation. The results of bulk modulus and elastic constants at zero pressure are in good agreement with the available theoretical and experimental values. Under high pressure, all the elastic constants meet the corresponding… ▽ More In this work, the elastic and thermodynamic properties of Pt$_{3}$Al under high pressure are investigated using density functional theory within the generalized gradient approximation. The results of bulk modulus and elastic constants at zero pressure are in good agreement with the available theoretical and experimental values. Under high pressure, all the elastic constants meet the corresponding mechanical stability criteria, meaning that Pt$_{3}$Al possesses mechanical stability. In addition, the elastic constants and elastic modulus increase linearly with the applied pressure. According to the Poisson's ratio $ν$ and elastic modulus ratio ($B/G$), Pt$_{3}$Al alloy is found to be ductile, and higher pressure can significantly enhance the ductility. Those indicate that the elastic properties of Pt$_{3}$Al will be improved under high pressure. Through the quasi-harmonic Debye model, we first successfully report the variations of the Debye temperature $Θ_\textrm{D}$, specific heats $C_{P}$, thermal expansion coefficient $α$, and Grüneisen parameter $γ$ under pressure range from 0 to 100 GPa and temperature range from 0 to 1000 K. △ Less

Submitted 24 December, 2015; originally announced December 2015.

Comments: 8 pages, 5 figures

Journal ref: Condens. Matter Phys., 2015, vol. 18, No. 4, 43601

Thermal stability of a free nanotube from single-layer black phosphorus

Authors: Kun Cai, Jing Wan, Ning Wei, Haifang Cai, Qing-Hua Qin

Abstract: Similar to the carbon nanotube fabricated from graphene sheet, a black phosphorus nanotube (BPNT) also can theoretically be produced by curling the rectangular single-layer black phosphorus (SLBP). In present study, the effect of thermal vibration of atoms on the failure of a BPNT is investigated using molecular dynamics simulations. Two types of double-shell BPNTs, which are obtained by curling t… ▽ More Similar to the carbon nanotube fabricated from graphene sheet, a black phosphorus nanotube (BPNT) also can theoretically be produced by curling the rectangular single-layer black phosphorus (SLBP). In present study, the effect of thermal vibration of atoms on the failure of a BPNT is investigated using molecular dynamics simulations. Two types of double-shell BPNTs, which are obtained by curling the rectangular SLBP along its armchair/pucker direction and zigzag direction (in-plane normal) respectively, are involved in simulation. At finite temperature, a bond on the outer shell of tube is under tension due to both of curvature of tube and serious thermal vibration of atoms. As the length of a bond with such elongation approaches its critical value, i.e., 0.279 nm, or the smallest distance between two nonbonding phosphorus atoms is over 0.389nm caused by great variation of bond angle, the tube fails quickly. The critical stable states of either an armchair or a zigzag BPNT at finite temperature are calculated and compared. To achieve a stable BPNT with high robustness, the curvature of the tube should be reduced or the tube should work at a lower temperature. Only when the BPNT has structural stability, it has a potential application as a nanowire in a future nano electro-mechanical system (NEMS). △ Less

Submitted 22 December, 2015; originally announced December 2015.

Thermal conductivity of graphene kirigami: ultralow and strain robustness

Authors: Ning Wei, Yang Chen, Kun Cai, HuiQiong Wang, Junhua Zhao, Jin-Cheng Zheng

Abstract: Kirigami structure, from the macro- to the nanoscale, exhibits distinct and tunable properties from original 2-dimensional sheet by tailoring. In present work, the extreme reduction of the thermal conductivity by tailoring sizes in graphene nanoribbon kirigami (GNR-k) is demonstrated using nonequilibrium molecular dynamics simulations. The results show that the thermal conductivity of GNR-k (aroun… ▽ More Kirigami structure, from the macro- to the nanoscale, exhibits distinct and tunable properties from original 2-dimensional sheet by tailoring. In present work, the extreme reduction of the thermal conductivity by tailoring sizes in graphene nanoribbon kirigami (GNR-k) is demonstrated using nonequilibrium molecular dynamics simulations. The results show that the thermal conductivity of GNR-k (around 5.1 Wm-1K-1) is about two orders of magnitude lower than that of the pristine graphene nanoribbon (GNR) (around 151.6 Wm-1K-1), while the minimum value is expected to be approaching zero in extreme case from our theoretical model. To explore the origin of the reduction of the thermal conductivity, the micro-heat flux on each atoms of GNR-k has been further studied. The results attribute the reduction of the thermal conductivity to three main sources as: the elongation of real heat flux path, the overestimation of real heat flux area and the phonon scattering at the vacancy of the edge. Moreover, the strain engineering effect on the thermal conductivity of GNR-k and a thermal robustness property has been investigated. Our results provide physical insights into the origins of the ultralow and robust thermal conductivity of GNR-k, which also suggests that the GNR-k can be used for nanaoscale heat management and thermoelectric application. △ Less

Submitted 14 December, 2015; originally announced December 2015.

Comments: 15 pages, 10 figures

Bismuth-content dependent of the polarized Raman spectra of the InPBi alloys

Authors: G. N. Wei, T. Q. Hai, Q. Feng, D. Xing, W. G. Luo, K. Wang, L. Y. Zhang, S. M. Wang, K. Y. Wang

Abstract: We have systematically investigated the optical properties of the InP1-xBix ternary alloys with 0<x<2.46%, using high resolution polarized Raman scattering measurement. Both InP-like and InBi-like optical vibration modes (LO) were identified in all the samples, suggesting most of the Bi-atoms are incorporated into the lattice sites to substitute P-atoms. And the intensity of the InBi-like Raman mo… ▽ More We have systematically investigated the optical properties of the InP1-xBix ternary alloys with 0<x<2.46%, using high resolution polarized Raman scattering measurement. Both InP-like and InBi-like optical vibration modes (LO) were identified in all the samples, suggesting most of the Bi-atoms are incorporated into the lattice sites to substitute P-atoms. And the intensity of the InBi-like Raman modes increase exponentially as Bi-content increasing. Linearly red-shift of the InP-like longitudinal optical vibration modes was observed to be 1.1 cm-1 of percent Bi, while that of the InP-like optical vibration overtones (2LO) were nearly doubled. In addition, through comparing the difference between the Z(X,X)Z and Z(X,Y)Z Raman spectra, Longitudinal Optical Plasmon Coupled (LOPC) modes are identified in all the samples, and their intensities are found to be proportional to the electron concentrations. △ Less

Submitted 14 December, 2015; originally announced December 2015.

Achieving ultrahigh carrier mobility and photo-responsivity in solution-processed perovskite/carbon nanotubes phototransistors

Authors: Hong Wang, Feng Li, Dominik Kufer, Weili Yu, Erkki Alarousu, Chun Ma, Yangyang Li, Zhixiong Liu, Changxu Liu, Nini Wei, Yin Chen, Fei Wang, Lang Chen, Omar F. Mohammed, Andrea Fratalocchi, Gerasimos Konstantatos, Tom Wu

Abstract: Organolead trihalide perovskites have drawn substantial interest for applications in photovoltaic and optoelectronic devices due to their low processing cost and remarkable physical properties. However, perovskite thin films still suffer from low carrier mobility, limiting their device performance and application potential. Here we report that embedding single-walled carbon nanotubes into halide p… ▽ More Organolead trihalide perovskites have drawn substantial interest for applications in photovoltaic and optoelectronic devices due to their low processing cost and remarkable physical properties. However, perovskite thin films still suffer from low carrier mobility, limiting their device performance and application potential. Here we report that embedding single-walled carbon nanotubes into halide perovskite films can significantly enhance the hole and electron mobilities to record-high values of 595.3 and 108.7 cm2 V-1 s-1, respectively. In the ambipolar phototransistors with such hybrid channels, photo-carriers generated in the light-absorbing perovskite matrix are transported by the carbon nanotubes, leading to ultrahigh detectivity of 6 * 1014 Jones and responsivity of 1 * 104 A W-1. We find that the perovskite precursor in dimethylformamide solution serve as an excellent stabilizer for the dispersion of carbon nanotubes, which potentially extend the scope of applications of perovskites in solution-processed functional composites. The unprecedented high performances underscore the perovskite/carbon nanotubes hybrids as an emerging class of functional materials in optoelectronic and other applications. △ Less

Submitted 29 March, 2016; v1 submitted 12 December, 2015; originally announced December 2015.

Comments: We have to withdraw the submission of our paper (Identifier: 1512.03893), because we found that we have not yet studied this work completely, and we certainly should pay much time to do new experiments and add the new data in the revised paper

Longitudinal Spin Seebeck Effect in Silver Strip on CoFe Film

Authors: Y. Sheng, M. Y. Yang, Y. Cao, K. M. Cai, G. N. Wei, G. H. Yu, B. Zhang, X. Q. Ma, K. Y. Wang

Abstract: We report the experimental observation of the spin Seebeck effect (SSE) in Ag/CoFe noble metal/magnetic metal bilayers with a longitudinal structure. Thermal voltages jointly generated by the anomalous Nernst effect (ANE) and the SSE were detected across the Ag/CoFe/Cu strip with a perpendicular thermal gradient. To effectively separate the SSE and the ANE part of the thermal voltages, we compared… ▽ More We report the experimental observation of the spin Seebeck effect (SSE) in Ag/CoFe noble metal/magnetic metal bilayers with a longitudinal structure. Thermal voltages jointly generated by the anomalous Nernst effect (ANE) and the SSE were detected across the Ag/CoFe/Cu strip with a perpendicular thermal gradient. To effectively separate the SSE and the ANE part of the thermal voltages, we compared the experimental results between the Ag/CoFe/Cu strip and Cu/CoFe/Cu strip, where two samples processed with the heating power instead of the temperature difference through the thin CoFe film. The respective contributions of the ANE and SSE to thermal voltage were determined, and they have the ratio of 4:1. The spin current injected through CoFe/Ag interface is calculated to be 1.76 mA/W. △ Less

Submitted 28 October, 2015; originally announced October 2015.

Magnetic Coupling in Ferromagnetic Semiconductor GaMnAs/AlGaMnAs Bilayer Devices

Authors: Y. F. Cao, Yanyong Li, Yuanyuan Li, G. N. Wei, Y. Ji, K. Y. Wang

Abstract: We carefully investigated the ferromagnetic coupling in the as-grown and annealed ferromagnetic semiconductor GaMnAs/AlGaMnAs bilayer devices. We observed that the magnetic interaction between the two layers strongly affects the magnetoresistance of the GaMnAs layer with applying out of plane magnetic field. After low temperature annealing, the magnetic easy axis of the AlGaMnAs layer switches fro… ▽ More We carefully investigated the ferromagnetic coupling in the as-grown and annealed ferromagnetic semiconductor GaMnAs/AlGaMnAs bilayer devices. We observed that the magnetic interaction between the two layers strongly affects the magnetoresistance of the GaMnAs layer with applying out of plane magnetic field. After low temperature annealing, the magnetic easy axis of the AlGaMnAs layer switches from out of plane into in-plane and the interlayer coupling efficiency is reduced from up to 0.6 to less than 0.4. However, the magnetic coupling penetration depth for the annealed device is twice that of the as-grown bilayer device. △ Less

Submitted 23 January, 2015; originally announced January 2015.

Comments: 10 pages, 4 figures

Journal ref: Science China 57(2014)1471

Mechanotunable monatomic metal structures at graphene edges

Authors: Ning Wei, Cheng Chang, Hongwei Zhu, Zhiping Xu

Abstract: Monatomic metal (e.g. silver) structures could form preferably at graphene edges. We explore their structural and electronic properties by performing density functional theory based first-principles calculations. The results show that cohesion between metal atoms, as well as electronic coupling between metal atoms and graphene edges offer remarkable structural stability of the hybrid. We find that… ▽ More Monatomic metal (e.g. silver) structures could form preferably at graphene edges. We explore their structural and electronic properties by performing density functional theory based first-principles calculations. The results show that cohesion between metal atoms, as well as electronic coupling between metal atoms and graphene edges offer remarkable structural stability of the hybrid. We find that the outstanding mechanical properties of graphene allow tunable properties of the metal monatomic structures by straining the structure. The concept is extended to metal rings and helices that form at open ends of carbon nanotubes and edges of twisted graphene ribbons. These findings demostrate the role of graphene edges as an efficient one-dimensional template for low-dimensional metal structures that are mechanotunable. △ Less

Submitted 10 February, 2014; v1 submitted 5 February, 2014; originally announced February 2014.

Comments: accepted by Physical Chemistry and Chemical Physics

Journal ref: Physical Chemistry and Chemical Physics 16 (22), 20195-10300 (2014)

Understanding water permeation in graphene oxide membranes

Authors: Ning Wei, Xinsheng Peng, Zhiping Xu

Abstract: Water transport through graphene-derived membranes has gained much interest recently due to its promising potential in filtration and separation applications. In this work, we explore water permeation in graphene oxide membranes using atomistic simulations, by considering flow through interlayer gallery, expanded pores such as wrinkles of interedge spaces, and pores within the sheet. We find that… ▽ More Water transport through graphene-derived membranes has gained much interest recently due to its promising potential in filtration and separation applications. In this work, we explore water permeation in graphene oxide membranes using atomistic simulations, by considering flow through interlayer gallery, expanded pores such as wrinkles of interedge spaces, and pores within the sheet. We find that although flow enhancement can be established by nanoconfinement, fast water transport through pristine graphene channels is prohibited by a prominent side-pinning effect from capillaries formed between oxidized regions. We then discuss flow enhancement in situations according to several recent experiments. These understandings are finally integrated into a complete picture to understand water permeation through the layer-by-layer and porous microstructure and could guide rational design of functional membranes for energy and environmental applications. △ Less

Submitted 5 February, 2014; originally announced February 2014.

Comments: arXiv admin note: text overlap with arXiv:1308.5367

Journal ref: ACS Applied Materials & Interfaces 6 (8), 5877-5883 (2014)

Breakdown of Fast Water Transport in Graphene Oxides

Authors: Ning Wei, Zhiping Xu

Abstract: Fast slip flow was reported for water inside the interlayer gallery between graphene layers or carbon nanotubes. We report here that this flow rate enhancement (over two orders) breaks down with the presence of chemical functionalization and relaxation of the nanoconfinement in graphene oxides. Molecular dynamics simulation results show that hydrodynamics applies in this circumstance, even at leng… ▽ More Fast slip flow was reported for water inside the interlayer gallery between graphene layers or carbon nanotubes. We report here that this flow rate enhancement (over two orders) breaks down with the presence of chemical functionalization and relaxation of the nanoconfinement in graphene oxides. Molecular dynamics simulation results show that hydrodynamics applies in this circumstance, even at length scales down to nanometers. However, corrections on the slip boundary condition and viscosity of nanoconfined flow must be included to make quantitative predictions. These results were discussed with structural characteristics of the liquid water and hydrogen bond networks. △ Less

Submitted 24 August, 2013; originally announced August 2013.

Journal ref: Physical Review E 89 (1), 012113 (2014)

Anisotropic Current-Controlled Magnetization Reversal in the Ferromagnetic Semiconductor (Ga,Mn)As

Authors: Yuanyuan Li, Y. F. Cao, G. N. Wei, Yanyong Li, Y. Ji, K. Y. Wang, K. W. Edmonds, R. P. Campion, A. W. Rushforth, C. T. Foxon, B. L. Gallagher

Abstract: Electrical current manipulation of magnetization switching through spin-orbital coupling in ferromagnetic semiconductor (Ga,Mn)As Hall bar devices has been investigated. The efficiency of the current-controlled magnetization switching is found to be sensitive to the orientation of the current with respect to the crystalline axes. The dependence of the spin-orbit effective magnetic field on the dir… ▽ More Electrical current manipulation of magnetization switching through spin-orbital coupling in ferromagnetic semiconductor (Ga,Mn)As Hall bar devices has been investigated. The efficiency of the current-controlled magnetization switching is found to be sensitive to the orientation of the current with respect to the crystalline axes. The dependence of the spin-orbit effective magnetic field on the direction and magnitude of the current is determined from the shifts in the magnetization switching angle. We find that the strain induced effective magnetic field is about three times as large as the Rashba induced magnetic field in our GaMnAs devices. △ Less

Submitted 8 March, 2013; originally announced March 2013.

Comments: 11 pages,3 figures, submitted to Appl. Phys. Lett

Journal ref: Applied Physics Letters 103, 022401 (2013)

A molecular dynamics investigation of the mechanical properties of graphene nanochain

Authors: Yongping Zheng, Lanqing Xu, Zheyong Fan, Ning Wei, Zhigao Huang

Abstract: In this paper, we investigate, by molecular dynamics simulations, the mechanical properties of a new carbon nanostructure, termed graphene nanochain, constructed by sewing up pristine or twisted graphene nanoribbons (GNRs) and interlocking the obtained nanorings. The obtained tensile strength of defect-free nanochain is a little lower than that of pristine GNRs and the fracture point is earlier th… ▽ More In this paper, we investigate, by molecular dynamics simulations, the mechanical properties of a new carbon nanostructure, termed graphene nanochain, constructed by sewing up pristine or twisted graphene nanoribbons (GNRs) and interlocking the obtained nanorings. The obtained tensile strength of defect-free nanochain is a little lower than that of pristine GNRs and the fracture point is earlier than that of the GNRs. The effects of length, width and twist angle of the constituent GNRs on the mechanical performance are analyzed. Furthermore, defect effect is investigated and in some high defect coverage cases, an interesting mechanical strengthening-like behavior is observed. This structure supports the concept of long-cable manufacturing and advanced material design can be achieved by integration of nanochain with other nanocomposites. The technology used to construct the nanochain is experimentally feasible, inspired by the recent demonstrations of atomically precise fabrications of GNRs with complex structures [Phys. Rev. Lett,2009,\textbf{102},205501; Nano Lett., 2010, \textbf{10},4328; Nature,2010,\textbf{466},470] △ Less

Submitted 10 December, 2012; originally announced December 2012.

Comments: 26pages

A solenoidal synthetic field and the non-Abelian Aharonov-Bohm effects in neutral atoms

Authors: Ming-Xia Huo, Nie Wei, David A. W. Hutchinson, Leong Chuan Kwek

Abstract: Cold neutral atoms provide a versatile and controllable platform for emulating various quantum systems. Despite efforts to develop artificial gauge fields in these systems, realizing a unique ideal-solenoid-shaped magnetic field within the quantum domain in any real-world physical system remains elusive. Here we propose a scheme to generate a "hairline" solenoid with an extremely small size around… ▽ More Cold neutral atoms provide a versatile and controllable platform for emulating various quantum systems. Despite efforts to develop artificial gauge fields in these systems, realizing a unique ideal-solenoid-shaped magnetic field within the quantum domain in any real-world physical system remains elusive. Here we propose a scheme to generate a "hairline" solenoid with an extremely small size around 1 micrometer which is smaller than the typical coherence length in cold atoms. Correspondingly, interference effects will play a role in transport. Despite the small size, the magnetic flux imposed on the atoms is very large thanks to the very strong field generated inside the solenoid. By arranging different sets of Laguerre-Gauss (LG) lasers, the generation of Abelian and non-Abelian SU(2) lattice gauge fields is proposed for neutral atoms in ring- and square-shaped optical lattices. As an application, interference patterns of the magnetic type-I Aharonov-Bohm (AB) effect are obtained by evolving atoms along a circle over several tens of lattice cells. During the evolution, the quantum coherence is maintained and the atoms are exposed to a large magnetic flux. The scheme requires only standard optical access, and is robust to weak particle interactions. △ Less

Submitted 11 August, 2014; v1 submitted 30 October, 2012; originally announced October 2012.

Journal ref: Scientific Reports 4: 5992 (2014)

Internal friction and Jahn-Teller effect in the charge-ordered La1-xCaxMnO3 (0.5<x<0.87)

Authors: R. K. Zheng, R. X. Huang, A. N. Tang, G. Li, X. G. Li, J. N. Wei, J. P. Shui, Z. Yao

Abstract: The Jahn-Teller effect in the charge-ordered (CO) state for La1-xCaxMnO3 (0.5<x<0.87) was studied by measuring the low-temperature powder x-ray diffraction, internal friction, and shear modulus. We find that the electron-lattice interaction with the static Jahn-Teller distortion is the strongest near x=0.75 in the CO state. It was particularly observed that a crossover of the Jahn-Teller vibrati… ▽ More The Jahn-Teller effect in the charge-ordered (CO) state for La1-xCaxMnO3 (0.5<x<0.87) was studied by measuring the low-temperature powder x-ray diffraction, internal friction, and shear modulus. We find that the electron-lattice interaction with the static Jahn-Teller distortion is the strongest near x=0.75 in the CO state. It was particularly observed that a crossover of the Jahn-Teller vibration mode from Q2 to Q3 near x=0.75 induces crossovers of the crystal structure from tetragonally compressed to tetragonally elongated orthorhombic, and of the magnetic structure from CE-type to C-type near x=0.75. The experimental results give strong evidence that the Jahn-Teller effect not only plays a key role in stabilizing the CO state, but also determines the magnetic and crystal structures in the CO state for La1-xCaxMnO3. △ Less

Submitted 1 December, 2002; originally announced December 2002.

Comments: 13 pages, 3 figures, PDF

Journal ref: Appl. Phys. Lett. 81(20), 3834 (2002)