Showing 1–15 of 15 results for author: Riss, A

Energy filtering-induced ultrahigh thermoelectric power factors in Ni$_3$Ge

Authors: Fabian Garmroudi, Simone Di Cataldo, Michael Parzer, Jennifer Coulter, Yutaka Iwasaki, Matthias Grasser, Simon Stockinger, Stephan Pázmán, Sandra Witzmann, Alexander Riss, Herwig Michor, Raimund Podloucky, Sergii Khmelevskyi, Antoine Georges, Karsten Held, Takao Mori, Ernst Bauer, Andrej Pustogow

Abstract: Traditional thermoelectric materials rely on low thermal conductivity to enhance their efficiency but suffer from inherently limited power factors. Novel pathways to optimize electronic transport are thus crucial. Here, we achieve ultrahigh power factors in Ni$_3$Ge through a new materials design principle. When overlapping flat and dispersive bands are engineered to the Fermi level, charge carrie… ▽ More Traditional thermoelectric materials rely on low thermal conductivity to enhance their efficiency but suffer from inherently limited power factors. Novel pathways to optimize electronic transport are thus crucial. Here, we achieve ultrahigh power factors in Ni$_3$Ge through a new materials design principle. When overlapping flat and dispersive bands are engineered to the Fermi level, charge carriers can undergo intense interband scattering, yielding an energy filtering effect similar to what has long been predicted in certain nanostructured materials. Via a multi-step DFT-based screening method developed herein, we discover a new family of L1$_2$-ordered binary compounds with ultrahigh power factors up to 11 mW m$^{-1}$ K$^{-2}$ near room temperature, which are driven by an intrinsic phonon-mediated energy filtering mechanism. Our comprehensive experimental and theoretical study of these new intriguing materials paves the way for understanding and designing high-performance scattering-tuned metallic thermoelectrics. △ Less

Submitted 8 January, 2025; originally announced January 2025.

Mapping delocalization of impurity bands across archetypal Mott-Anderson transition

Authors: M. Parzer, F. Garmroudi, A. Riss, T. Mori, A. Pustogow, E. Bauer

Abstract: Tailoring charge transport in solids on demand is the overarching goal of condensed-matter research as it is crucial for electronic applications. Yet, often the proper tuning knob is missing and extrinsic factors such as impurities and disorder impede coherent conduction. Here we control the very buildup of an electronic band from impurity states within the pseudogap of ternary Fe$_{2-x}$V… ▽ More Tailoring charge transport in solids on demand is the overarching goal of condensed-matter research as it is crucial for electronic applications. Yet, often the proper tuning knob is missing and extrinsic factors such as impurities and disorder impede coherent conduction. Here we control the very buildup of an electronic band from impurity states within the pseudogap of ternary Fe$_{2-x}$V$_{1+x}$Al Heusler compounds via reducing the Fe content. Our density functional theory calculations combined with specific heat and electrical resistivity experiments reveal that, initially, these states are Andersonlocalized at low V concentrations $0 < x < 0.1$. As x increases, we monitor the formation of mobility edges upon the archetypal Mott-Anderson transition and map the increasing bandwidth of conducting states by thermoelectric measurements. Ultimately, delocalization of charge carriers in fully disordered V$_3$Al results in a resistivity exactly at the Mott-Ioffe-Regel limit that is perfectly temperature-independent up to 700 K - more constant than constantan. △ Less

Submitted 4 December, 2024; originally announced December 2024.

Comments: 5 pages, 3 figures

Decoupled charge and heat transport for high-performance Fe$_2$VAl composite thermoelectrics

Authors: Fabian Garmroudi, Illia Serhiienko, Michael Parzer, Sanyukta Ghosh, Pawel Ziolkowski, Gregor Oppitz, Hieu Duy Nguyen, Cédric Bourgès, Yuya Hattori, Alexander Riss, Sebastian Steyrer, Gerda Rogl, Peter Rogl, Erhard Schafler, Naoyuki Kawamoto, Eckhard Müller, Ernst Bauer, Johannes de Boor, Takao Mori

Abstract: Decoupling charge and heat transport is essential for optimizing thermoelectric materials. Strategies to inhibit lattice-driven heat transport, however, also compromise carrier mobility, limiting the performance of most thermoelectrics, including Fe$_2$VAl Heusler compounds. Here, we demonstrate an innovative approach, which bypasses this tradeoff: via liquid-phase sintering, we incorporate the ar… ▽ More Decoupling charge and heat transport is essential for optimizing thermoelectric materials. Strategies to inhibit lattice-driven heat transport, however, also compromise carrier mobility, limiting the performance of most thermoelectrics, including Fe$_2$VAl Heusler compounds. Here, we demonstrate an innovative approach, which bypasses this tradeoff: via liquid-phase sintering, we incorporate the archetypal topological insulator Bi$_{1-x}$Sb$_{x}$ between Fe$_2$V$_{0.95}$Ta$_{0.1}$Al$_{0.95}$ grains. Structural investigations alongside extensive thermoelectric and magneto-transport measurements reveal distinct modifications in the microstructure, and a reduced lattice thermal conductivity and enhanced carrier mobility are simultaneously found. This yields a huge performance boost $-$ far beyond the effective-medium limit $-$ and results in one of the highest figure of merits among both half- and full-Heusler compounds, $z\approx 1.6\times 10^{-3}\,$K$^{-1}$ ($zT\approx 0.5$) at 295 K. Our findings highlight the potential of secondary phases to decouple charge and heat transport and call for more advanced theoretical studies of multiphase composites. △ Less

Submitted 10 October, 2024; originally announced October 2024.

SeeBand: A highly efficient, interactive tool for analyzing electronic transport data

Authors: Michael Parzer, Alexander Riss, Fabian Garmroudi, Johannes de Boor, Takao Mori, Ernst Bauer

Abstract: Linking the fundamental physics of band structure and scattering theory with macroscopic features such as measurable bulk thermoelectric transport properties is indispensable to a thorough understanding of transport phenomena and ensures more targeted and efficient experimental research. Here, we introduce SeeBand, a highly efficient and interactive fitting tool based on Boltzmann transport theory… ▽ More Linking the fundamental physics of band structure and scattering theory with macroscopic features such as measurable bulk thermoelectric transport properties is indispensable to a thorough understanding of transport phenomena and ensures more targeted and efficient experimental research. Here, we introduce SeeBand, a highly efficient and interactive fitting tool based on Boltzmann transport theory. A fully integrated user interface and visualization tool enable real-time comparison and connection between the electronic band structure (EBS) and microscopic transport properties. It allows simultaneous analysis of data for the Seebeck coefficient $S$, resistivity $ρ$ and Hall coefficient $R_\text{H}$ to identify suitable EBS models and extract the underlying microscopic material parameters and additional information from the model. Crucially, the EBS can be obtained by directly fitting the temperature-dependent properties of a single sample, which goes beyond previous approaches that look into doping dependencies. Finally, the combination of neural-network-assisted initial guesses and an efficient subsequent fitting routine allows for a rapid processing of big datasets, facilitating high-throughput analyses to identify underlying, yet undiscovered dependencies, thereby guiding material design. △ Less

Submitted 14 January, 2025; v1 submitted 10 September, 2024; originally announced September 2024.

Cooperative Nernst Effect of Multilayer Systems: Parallel Circuit Model Study

Authors: Hiroyasu Matsuura, Alexander Riss, Fabian Garmroudi, Michael Parzer, Ernst Bauer

Abstract: Transverse thermoelectric power generation has emerged as a topic of immense interest in recent years owing to the orthogonal geometry which enables better scalability and fabrication of devices. Here, we investigate the thickness dependence of longitudinal and transverse responses in film-substrate systems i.e., the Seebeck coefficient, Hall coefficient, Nernst coefficient and anomalous Nernst co… ▽ More Transverse thermoelectric power generation has emerged as a topic of immense interest in recent years owing to the orthogonal geometry which enables better scalability and fabrication of devices. Here, we investigate the thickness dependence of longitudinal and transverse responses in film-substrate systems i.e., the Seebeck coefficient, Hall coefficient, Nernst coefficient and anomalous Nernst coefficient in a unified and general manner based on the circuit model, which describes the system as the parallel setup. By solving the parallel circuit model, we show that the transverse responses exhibit a significant peak, indicating the importance of a cooperative effect between the film and the substrate, arising from circulating currents that occur in these multilayer systems in the presence of a temperature gradient. Finally, on the basis of realistic material parameters, we predict that the Nernst effect in bismuth thin films on doped silicon substrates is boosted to unprecedented values if the thickness ratio is tuned accordingly, motivating experimental validation. △ Less

Submitted 30 July, 2024; originally announced July 2024.

Comments: 11 pages, 6 figures

Journal ref: Phys. Rev. Research 6, 043071 (2024)

Iterative composition optimization in Fe$_2$VAl-based thin-film thermoelectrics using single-target sputtering

Authors: Alexander Riss, Ellena Lasisch, Simon Podbelsek, Katharina Schäfer, Michael Parzer, Fabian Garmroudi, Christoph Eisenmenger-Sittner, Takao Mori, Ernst Bauer

Abstract: Magnetron sputtering inherently exhibits the advantage of dislodging particles from the target in a ratio equivalent to the target stoichiometry. Nevertheless, film compositions often deviate due to element-dependent scattering with the working gas, necessitating the adjustment of the sputtering process. In this work, we explore an unconventional approach of addressing this issue, involving the em… ▽ More Magnetron sputtering inherently exhibits the advantage of dislodging particles from the target in a ratio equivalent to the target stoichiometry. Nevertheless, film compositions often deviate due to element-dependent scattering with the working gas, necessitating the adjustment of the sputtering process. In this work, we explore an unconventional approach of addressing this issue, involving the employment of an off-stoichiometric target. The required composition is obtained through an iterative process, which is demonstrated by Fe$_2$VAl and Fe$_2$V$_{0.9}$Ti$_{0.1}$Al films as case studies. Ultimately, the correct stoichiometry is obtained from Fe$_{1.86}$V$_{1.15}$Al$_{0.99}$ and Fe$_{1.88}$V$_{1.02}$Ti$_{0.13}$Al$_{0.97}$ targets, respectively. Despite the thermoelectric properties falling below expectations, mainly due to imperfect film crystallization, the strategy successfully achieved the desired stoichiometry, enabling accurate film synthesis without the need of advanced sputtering setups. △ Less

Submitted 7 June, 2024; originally announced June 2024.

High thermoelectric power factor through topological flat bands

Authors: Fabian Garmroudi, Illia Serhiienko, Simone Di Cataldo, Michael Parzer, Alexander Riss, Matthias Grasser, Simon Stockinger, Sergii Khmelevskyi, Kacper Pryga, Bartlomiej Wiendlocha, Karsten Held, Takao Mori, Ernst Bauer, Andrej Pustogow

Abstract: Thermoelectric (TE) materials are useful for applications such as waste heat harvesting or efficient and targeted cooling. While various strategies towards superior thermoelectrics through a reduction of the lattice thermal conductivity have been developed, a path to enhance the power factor is pressing. Here, we report large power factors up to 5 mW m$^{-1}$ K$^{-2}$ at room temperature in the ka… ▽ More Thermoelectric (TE) materials are useful for applications such as waste heat harvesting or efficient and targeted cooling. While various strategies towards superior thermoelectrics through a reduction of the lattice thermal conductivity have been developed, a path to enhance the power factor is pressing. Here, we report large power factors up to 5 mW m$^{-1}$ K$^{-2}$ at room temperature in the kagome metal Ni$_3$In$_{1-x}$Sn$_x$. This system is predicted to feature almost dispersionless flat bands in conjunction with highly dispersive Dirac-like bands in its electronic structure around the Fermi energy $E_\text{F}$ [L. Ye et al., Nature Physics 1-5 (2024)]. Within this study, we experimentally and theoretically showcase that tuning this flat band precisely below $E_\text{F}$ by chemical doping $x$ boosts the Seebeck coefficient and power factor, as highly mobile charge carriers scatter into the flat-band states. Our work demonstrates the prospect of engineering extremely flat and highly dispersive bands towards the Fermi energy in kagome metals and introduces topological flat bands as a novel tuning knob for thermoelectrics. △ Less

Submitted 11 April, 2024; originally announced April 2024.

High thermoelectric performance in metallic NiAu alloys

Authors: Fabian Garmroudi, Michael Parzer, Alexander Riss, Cédric Bourgès, Sergii Khmelevskyi, Takao Mori, Ernst Bauer, Andrej Pustogow

Abstract: Thermoelectric (TE) materials seamlessly convert thermal into electrical energy and vice versa, making them promising for applications such as power generation or cooling. Although historically the TE effect was first discovered in metals, state-of-the-art research mainly focuses on doped semiconductors with large figure of merit, $zT$, that determines the conversion efficiency of TE devices. Whil… ▽ More Thermoelectric (TE) materials seamlessly convert thermal into electrical energy and vice versa, making them promising for applications such as power generation or cooling. Although historically the TE effect was first discovered in metals, state-of-the-art research mainly focuses on doped semiconductors with large figure of merit, $zT$, that determines the conversion efficiency of TE devices. While metallic alloys have superior functional properties, such as high ductility and mechanical strength, they have mostly been discarded from investigation in the past due to their small Seebeck effect. Here, we realize unprecedented TE performance in metals by tuning the energy-dependent electronic scattering. Based on our theoretical predictions, we identify binary NiAu alloys as promising candidate materials and experimentally discover colossal power factors up to 34 mWm$^{-1}$K$^{-2}$ (on average 30 mWm$^{-1}$K$^{-2}$ from 300 to 1100 K), which is more than twice larger than in any known bulk material above room temperature. This system reaches a $zT$ up to 0.5, setting a new world record value for metals. NiAu alloys are not only orders of magnitude more conductive than heavily doped semiconductors, but also have large Seebeck coefficients originating from an inherently different physical mechanism: within the Au s band conduction electrons are highly mobile while holes are scattered into more localized Ni d states, yielding a strongly energy-dependent carrier mobility. Our work challenges the common belief that good metals are bad thermoelectrics and presents an auspicious paradigm for achieving high TE performance in metallic alloys through engineering electron-hole selective s-d scattering. △ Less

Submitted 6 March, 2023; originally announced March 2023.

From spin liquid to magnetic ordering in the anisotropic kagome Y-Kapellasite Y3Cu9(OH)19Cl8: a single crystal study

Authors: D. Chatterjee, P. Puphal, Q. Barthélemy, J. Willwater, S. Süllow, C. Baines, S. Petit, E. Ressouche, J. Ollivier, K. M. Zoch, C. Krellner, M. Parzer, A. Riss, F. Garmroudi, A. Pustogow, P. Mendels, E. Kermarrec, F. Bert

Abstract: Y3Cu9(OH)19Cl8 realizes an original anisotropic kagome model hosting a rich magnetic phase diagram [M. Hering et al, npj Computational Materials 8, 1 (2022)]. We present an improved synthesis of large phase-pure single crystals via an external gradient method. These crystals were investigated in details by susceptibility, specific heat, thermal expansion, neutron scattering and local muSR and NMR… ▽ More Y3Cu9(OH)19Cl8 realizes an original anisotropic kagome model hosting a rich magnetic phase diagram [M. Hering et al, npj Computational Materials 8, 1 (2022)]. We present an improved synthesis of large phase-pure single crystals via an external gradient method. These crystals were investigated in details by susceptibility, specific heat, thermal expansion, neutron scattering and local muSR and NMR techniques. At variance with polycristalline samples, the study of single crystals gives evidence for subtle structural instabilities at 33K and 13K which preserve the global symmetry of the system and thus the magnetic model. At 2.1K the compound shows a magnetic transition to a coplanar (1/3,1/3) long range order as predicted theoretically. However our analysis of the spin wave excitations yields magnetic interactions which locate the compound closer to the phase boundary to a classical jammed spin liquid phase. Enhanced quantum fluctuations at this boundary may be responsible for the strongly reduced ordered moment of the Cu2+, estimated to be 0.075muB from muSR. △ Less

Submitted 29 November, 2022; originally announced November 2022.

Imaging reconfigurable molecular concentration on a graphene field-effect transistor

Authors: Franklin Liou, Hsin-Zon Tsai, Andrew S. Aikawa, Kyler C. Natividad, Eric Tang, Ethan Ha, Alexander Riss, Kenji Watanabe, Takashi Taniguchi, Johannes Lischner, Alex Zettl, Michael F. Crommie

Abstract: The spatial arrangement of adsorbates deposited onto a clean surface in vacuum typically cannot be reversibly tuned. Here we use scanning tunneling microscopy to demonstrate that molecules deposited onto graphene field-effect transistors exhibit reversible, electrically-tunable surface concentration. Continuous gate-tunable control over the surface concentration of charged F4TCNQ molecules was ach… ▽ More The spatial arrangement of adsorbates deposited onto a clean surface in vacuum typically cannot be reversibly tuned. Here we use scanning tunneling microscopy to demonstrate that molecules deposited onto graphene field-effect transistors exhibit reversible, electrically-tunable surface concentration. Continuous gate-tunable control over the surface concentration of charged F4TCNQ molecules was achieved on a graphene FET at T = 4.5K. This capability enables precisely controlled impurity doping of graphene devices and also provides a new method for determining molecular energy level alignment based on the gate-dependence of molecular concentration. The gate-tunable molecular concentration can be explained by a dynamical molecular rearrangement process that reduces total electronic energy by maintaining Fermi level pinning in the device substrate. Molecular surface concentration in this case is fully determined by the device back-gate voltage, its geometric capacitance, and the energy difference between the graphene Dirac point and the molecular LUMO level. △ Less

Submitted 15 September, 2021; originally announced September 2021.

Non-Covalent Dimerization after Enediyne Cyclization on Au(111)

Authors: Dimas G. de Oteyza, Alejandro Pérez Paz, Yen-Chia Chen, Zahra Pedramrazi, Alexander Riss, Sebastian Wickenburg, Hsin-Zon Tsai, Felix R. Fischer, Michael F. Crommie, Angel Rubio

Abstract: We investigate the thermally-induced cyclization of 1,2 - bis(2 - phenylethynyl)benzene on Au(111) using scanning tunneling microscopy and computer simulations. Cyclization of sterically hindered enediynes is known to proceed via two competing mechanisms in solution: a classic C1 - C6 or a C1 - C5 cyclization pathway. On Au(111) we find that the C1 - C5 cyclization is suppressed and that the C1 -… ▽ More We investigate the thermally-induced cyclization of 1,2 - bis(2 - phenylethynyl)benzene on Au(111) using scanning tunneling microscopy and computer simulations. Cyclization of sterically hindered enediynes is known to proceed via two competing mechanisms in solution: a classic C1 - C6 or a C1 - C5 cyclization pathway. On Au(111) we find that the C1 - C5 cyclization is suppressed and that the C1 - C6 cyclization yields a highly strained bicyclic olefin whose surface chemistry was hitherto unknown. The C1 - C6 product self-assembles into discrete non-covalently bound dimers on the surface. The reaction mechanism and driving forces behind non-covalent association are discussed in light of density functional theory calculations. △ Less

Submitted 1 December, 2020; originally announced December 2020.

Journal ref: J. Am. Chem. Soc. 2016, 138, 10963-10967

Electrons imitating light: Frustrated supercritical collapse in charged arrays on graphene

Authors: Jiong Lu, Hsin-Zon Tsai, Alpin N. Tatan, Sebastian Wickenburg, Arash A. Omrani, Dillon Wong, Alexander Riss, Erik Piatti, Kenji Watanabe, Takashi Taniguchi, Alex Zettl, Vitor M. Pereira, Michael F. Crommie

Abstract: The photon-like electronic dispersion of graphene bestows its charge carriers with unusual confinement properties that depend strongly on the geometry and strength of the surrounding potential. Here we report bottom-up synthesis of atomically-precise one-dimensional (1D) arrays of point charges aimed at exploring supercritical confinement of carriers in graphene for new geometries. The arrays were… ▽ More The photon-like electronic dispersion of graphene bestows its charge carriers with unusual confinement properties that depend strongly on the geometry and strength of the surrounding potential. Here we report bottom-up synthesis of atomically-precise one-dimensional (1D) arrays of point charges aimed at exploring supercritical confinement of carriers in graphene for new geometries. The arrays were synthesized by arranging F4TCNQ molecules into a 1D lattice on back-gated graphene devices, allowing precise tuning of both the molecular charge state and the array periodicity. Dilute arrays of ionized F4TCNQ molecules are seen to behave like isolated subcritical charges but dense arrays show emergent supercriticality. In contrast to compact supercritical clusters, extended 1D charge arrays exhibit both supercritical and subcritical characteristics and belong to a new physical regime termed frustrated supercritical collapse. Here carriers in the far-field are attracted by a supercritical charge distribution, but have their fall to the center frustrated by subcritical potentials in the near-field, similar to the trapping of light by a dense cluster of stars in general relativity. △ Less

Submitted 10 December, 2018; originally announced December 2018.

Journal ref: Nature Communications 10, 477 (2019)

Characterization of collective ground states in single-layer NbSe2

Authors: Miguel M. Ugeda, Aaron J. Bradley, Yi Zhang, Seita Onishi, Yi Chen, Wei Ruan, Claudia Ojeda-Aristizabal, Hyejin Ryu, Mark T. Edmonds, Hsin-Zon Tsai, Alexander Riss, Sung-Kwan Mo, Dunghai Lee, Alex Zettl, Zahid Hussain, Zhi-Xun Shen, Michael F. Crommie

Abstract: Layered transition metal dichalcogenides (TMDs) are ideal systems for exploring the effects of dimensionality on correlated electronic phases such as charge density wave (CDW) order and superconductivity. In bulk NbSe2 a CDW sets in at TCDW = 33 K and superconductivity sets in at Tc = 7.2 K. Below Tc these electronic states coexist but their microscopic formation mechanisms remain controversial. H… ▽ More Layered transition metal dichalcogenides (TMDs) are ideal systems for exploring the effects of dimensionality on correlated electronic phases such as charge density wave (CDW) order and superconductivity. In bulk NbSe2 a CDW sets in at TCDW = 33 K and superconductivity sets in at Tc = 7.2 K. Below Tc these electronic states coexist but their microscopic formation mechanisms remain controversial. Here we present an electronic characterization study of a single 2D layer of NbSe2 by means of low temperature scanning tunneling microscopy/spectroscopy (STM/STS), angle-resolved photoemission spectroscopy (ARPES), and electrical transport measurements. We demonstrate that 3x3 CDW order in NbSe2 remains intact in 2D. Superconductivity also still remains in the 2D limit, but its onset temperature is depressed to 1.9 K. Our STS measurements at 5 K reveal a CDW gap of Δ = 4 meV at the Fermi energy, which is accessible via STS due to the removal of bands crossing the Fermi level for a single layer. Our observations are consistent with the simplified (compared to bulk) electronic structure of single-layer NbSe2, thus providing new insight into CDW formation and superconductivity in this model strongly-correlated system. △ Less

Submitted 5 November, 2015; v1 submitted 28 June, 2015; originally announced June 2015.

Comments: Nature Physics (2015), DOI:10.1038/nphys3527

Probing the Role of Interlayer Coupling and Coulomb Interactions on Electronic Structure in Few-Layer MoSe2 Nanostructures

Authors: Aaron J. Bradley, Miguel M. Ugeda, Felipe H. da Jornada, Diana Y. Qiu, Wei Ruan, Yi Zhang, Sebastian Wickenburg, Alexander Riss, Jiong Lu, Sung-Kwan Mo, Zahid Hussain, Zhi-Xun Shen, Steven G. Louie, Michael F. Crommie

Abstract: Despite the weak nature of interlayer forces in transition metal dichalcogenide (TMD) materials, their properties are highly dependent on the number of layers in the few-layer two-dimensional (2D) limit. Here, we present a combined scanning tunneling microscopy/spectroscopy and GW theoretical study of the electronic structure of high quality single- and few-layer MoSe2 grown on bilayer graphene. W… ▽ More Despite the weak nature of interlayer forces in transition metal dichalcogenide (TMD) materials, their properties are highly dependent on the number of layers in the few-layer two-dimensional (2D) limit. Here, we present a combined scanning tunneling microscopy/spectroscopy and GW theoretical study of the electronic structure of high quality single- and few-layer MoSe2 grown on bilayer graphene. We find that the electronic (quasiparticle) bandgap, a fundamental parameter for transport and optical phenomena, decreases by nearly one electronvolt when going from one layer to three due to interlayer coupling and screening effects. Our results paint a clear picture of the evolution of the electronic wave function hybridization in the valleys of both the valence and conduction bands as the number of layers is changed. This demonstrates the importance of layer number and electron-electron interactions on van der Waals heterostructures, and helps to clarify how their electronic properties might be tuned in future 2D nanodevices. △ Less

Submitted 18 March, 2015; originally announced March 2015.

Journal ref: Nano Letters 15, 2594 (2015)

Observation and destruction of an elusive adsorbate with STM: O$_2$/TiO$_2$

Authors: Philipp Scheiber, Alexander Riss, Michael Schmid, Peter Varga, Ulrike Diebold

Abstract: When a slightly defective rutile TiO$_2$(110) surface is exposed to O$_2$ at elevated temperatures, the molecule dissociates at defects, filling O vacancies (\ov) and creating O adatoms (\oad) on {\tifc} rows. The adsorption of molecular O$_2$ at low temperatures has remained controversial. Low-Temperature Scanning Tunneling Microscopy (LT-STM) of O$_2$, dosed on TiO$_2$(110) at a sample temperatu… ▽ More When a slightly defective rutile TiO$_2$(110) surface is exposed to O$_2$ at elevated temperatures, the molecule dissociates at defects, filling O vacancies (\ov) and creating O adatoms (\oad) on {\tifc} rows. The adsorption of molecular O$_2$ at low temperatures has remained controversial. Low-Temperature Scanning Tunneling Microscopy (LT-STM) of O$_2$, dosed on TiO$_2$(110) at a sample temperature of $\approx$ 100 K and imaged at 17 K, shows a molecular precursor at \ov as a faint change in contrast. The adsorbed O$_2$ easily dissociates during the STM measurements, and formation of \oad's at both sides of the original \ov is observed. △ Less

Submitted 15 October, 2010; v1 submitted 8 September, 2010; originally announced September 2010.

Comments: Submitted to Physical Review Letters. 4 pages, 2 figures

Journal ref: Phys. Rev. Lett. 105, 216101 (2010)