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Two-dimensional electron systems in perovskite oxide heterostructures: Role of the polarity-induced substitutional defects

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Physical Review Materials 2020年第11期4卷 115002-115002页

作者： Shih-Chieh Lin Cheng-Tai Kuo Yu-Cheng Shao Yi-De Chuang Jaap Geessinck Mark Huijben Jean-Pascal Rueff Ismael L. Graff Giuseppina Conti Yingying Peng Aaron Bostwick Eli Rotenberg Eric Gullikson Slavomír Nemšák Arturas Vailionis Nicolas Gauquelin Johan Verbeeck Giacomo Ghiringhelli Claus M. Schneider Charles S. Fadley Department of Physics University of California Davis Davis California 95616 USA Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley California 94720 USA Stanford Synchrotron Radiation Lightsource SLAC National Accelerator Laboratory Menlo Park California 94025 USA Advanced Light Source Lawrence Berkeley National Laboratory Berkeley California 94720 USA Faculty of Science and Technology and MESA+ Institute for Nanotechnology University of Twente Enschede 7500 AE The Netherlands Synchrotron SOLEIL L'Orme des Merisiers Saint-Aubin-BP48 91192 Gif-sur-Yvette France Sorbonne Université CNRSLaboratoire de Chimie Physique-Matière et Rayonnement 75005 Paris France Department of Physics Federal University of Paraná Curitiba Brazil CNR-SPIN and Dipartimento di Fisica Politecnico di Milano Piazza Leonardo da Vinci 32 Milano I-20133 Italy Stanford Nano Shared Facilities Stanford University Stanford California 94305 USA Department of Physics Kaunas University of Technology Studentu Street 50 LT-51368 Kaunas Lithuania Electron Microscopy for Materials Science (EMAT) University of Antwerp Groenenborgerlaan 171 B-2020 Antwerp Belgium Peter-Grünberg-Institut PGI-6 Forschungszentrum Juülich Juülich 52425 Germany

The discovery of a two-dimensional electron system (2DES) at the interfaces of perovskite oxides such as LaAlO3 and SrTiO3 has motivated enormous efforts in engineering interfacial functionalities with this type of oxide heterostructures. However, the fundamental origins of the 2DES are still not understood, e.g., the microscopic mechanisms of coexisting interface conductivity and magnetism. Here we report a comprehensive spectroscopic investigation on the depth profile of 2DES-relevant Ti3d interface carriers using depth- and element-specific techniques like standing-wave excited photoemission and resonant inelastic scattering. We found that one type of Ti 3d interface carriers, which give rise to the 2DES are located within three unit cells from the n-type interface in the SrTiO3 layer. Unexpectedly, another type of interface carriers, which are polarity-induced Ti-on-Al antisite defects, reside in the first three unit cells of the opposing LaAlO3 layer (∼10 Å). Our findings provide a microscopic picture of how the localized and mobile Ti 3d interface carriers distribute across the interface and suggest that the 2DES and 2D magnetism at the LaAlO3/SrTiO3 interface have disparate explanations as originating from different types of interface carriers.

关键词： Electronic structure Surface & interfacial phenomena Multilayer thin films Two-dimensional electron gas Hard x-ray photoelectron spectroscopy Resonant inelastic x-ray scattering X-ray photoelectron spectroscopy X-ray standing waves

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Element-specific soft x-ray spectroscopy, scattering, and imaging studies of the skyrmion-hosting compound Co8Zn8Mn4

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Physical Review B 2019年第14期99卷 144408-144408页

作者： V. Ukleev Y. Yamasaki D. Morikawa K. Karube K. Shibata Y. Tokunaga Y. Okamura K. Amemiya M. Valvidares H. Nakao Y. Taguchi Y. Tokura T. Arima RIKEN Center for Emergent Matter Science (CEMS) Wako 351-0198 Japan Laboratory for Neutron Scattering and Imaging (LNS) Paul Scherrer Institute (PSI) CH-5232 Villigen Switzerland Research and Services Division of Materials Data and Integrated System (MaDIS) National Institute for Materials Science (NIMS) Tsukuba 305-0047 Japan PRESTO Japan Science and Technology Agency (JST) Kawaguchi 332-0012 Japan Department of Advanced Materials Science University of Tokyo Kashiwa 277-8561 Japan Department of Applied Physics and Quantum-Phase Electronics Center (QPEC) University of Tokyo Tokyo 113-8656 Japan Condensed Matter Research Center and Photon Factory Institute of Materials Structure Science High Energy Accelerator Research Organization Tsukuba 305-0801 Japan CELLS Experiment Division ALBA Synchrotron Light Source Barcelona E-08290 Spain

A room-temperature skyrmion-hosting compound Co8Zn8Mn4 has been examined by means of soft x-ray absorption spectroscopy, resonant small-angle scattering, and extended reference holography. An element-selective study was performed by exciting the 2p-to-3d transitions near Co and Mn L2,3 absorption edges. By utilizing the coherence of soft x-ray beams the element-specific real-space distribution of local magnetization at different temperatures has been reconstructed using iterative phase retrieval and holography with extended reference. It was shown that the magnetic moments of Co and Mn are ferromagnetically coupled and exhibit similar magnetic patterns. Both imaging methods provide a real-space resolution of 30 nm and allowed us to record a magnetic texture in the temperature range between T=20 K and T=120 K, demonstrating the elongation of the skyrmions along the principal crystallographic axes at low temperatures. Micromagnetic simulations have shown that such deformation is driven by a decreasing ratio of symmetric exchange interaction to antisymmetric Dzyaloshinskii-Moriya interaction in the system and effect of the cubic anisotropy.

关键词： Helicoidal magnetic texture Skyrmions Coherent X-ray scattering Resonant elastic x-ray scattering Small-angle x-ray scattering X-ray absorption spectroscopy X-ray holography X-ray imaging X-ray magnetic circular dichroism X-ray resonant magnetic scattering X-ray scattering

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Mode-selective coupling of coherent phonons to the Bi2212 electronic band structure

arXiv

引用

arXiv 2019年

作者： Yang, S.-L. Sobota, J.A. He, Y. Leuenberger, D. Soifer, H. Eisaki, H. Kirchmann, P.S. Shen, Z.-X. Stanford Institute for Materials and Energy Sciences SLAC National Accelerator Laboratory 2575 Sand Hill Road Menlo ParkCA94025 United States Geballe Laboratory for Advanced Materials Departments of Physics and Applied Physics Stanford University StanfordCA94305 United States Advanced Light Source Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Electronics and Photonics Research Institute National Institute of Advanced Industrial Science and Technology TsukubaIbaraki305-8558 Japan

Cuprate superconductors host a multitude of low-energy optical phonons. Using time- and angle-resolved photoemission spectroscopy, we study coherent phonons in Bi2Sr2Ca0.92Y0.08Cu2O8+δ. Sub-meV modulations of the electronic band structure are observed at frequencies of 3.94±0.01 and 5.59 ± 0.06 THz. For the dominant mode at 3.94 THz, the amplitude of the band energy oscillation weakly increases as a function of momentum away from the node. Theoretical calculations allow identifying the observed modes as CuO2-derived A1g phonons. The Bi- and Sr-derived A1g modes which dominate Raman spectra in the relevant frequency range are absent in our measurements. This highlights the mode-selectivity for phonons coupled to the near-Fermi-level electrons, which originate from CuO2 planes and dictate thermodynamic properties. Copyright © 2019, The Authors. All rights reserved.

关键词： Phonons

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Observation of topological electronic structure in quasi-1D superconductor TaSe3

arXiv

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arXiv 2020年

作者： Chen, Cheng Liang, Aiji Liu, Shuai Nie, Simin Huang, Junwei Wang, Meixiao Li, Yiwei Pei, Ding Yang, Haifeng Zheng, Huijun Zhang, Yong Lu, Donghui Hashimoto, Makoto Barinov, Alexei Jozwiak, Chris Bostwick, Aaron Rotenberg, Eli Kou, Xufeng Yang, Lexian Guo, Yanfeng Wang, Zhijun Yuan, Hongtao Liu, Zhongkai Chen, Yulin School of Physical Science and Technology ShanghaiTech University Shanghai201210 China ShanghaiTech Laboratory for Topological Physics Shanghai201210 China Advanced Light Source Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Department of Materials Science and Engineering Stanford University StanfordCA94305 United States National Laboratory of Solid State Microstructures College of Engineering and Applied Sciences Collaborative Innovation Center of Advanced Microstructures Nanjing University Nanjing210093 China Department of Physics University of Oxford OxfordOX1 3PU United Kingdom School of Information Science and Technology ShanghaiTech University Shanghai201210 China Stanford Synchrotron Radiation Lightsource SLAC National Accelerator Laboratory Menlo ParkCA94025 United States Elettra-Sincrotrone Trieste Trieste Basovizza34149 Italy State Key Laboratory of Low Dimensional Quantum Physics Department of Physics Tsinghua University Beijing100084 China Frontier Science Center for Quantum Information Beijing100084 China Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing100190 China University of Chinese Academy of Sciences Beijing100049 China

Topological superconductors (TSCs)，with the capability to host Majorana bound states that can lead to non-Abelian statistics and application in quantum computation，have been one of the most intensively studied topics in condensed matter physics recently. Up to date, only a few compounds have been proposed as candidates of intrinsic TSCs, such as doped topological insulator CuxBi2Se3 and iron-based superconductor FeTe0.55Se0.45. Here, by carrying out synchrotron and laser based angle-resolved photoemission spectroscopy (ARPES), we systematically investigated the electronic structure of a quasi-1D superconductor TaSe3, and identified the nontrivial topological surface states. In addition, our scanning tunneling microscopy (STM) study revealed a clean cleaved surface with a persistent superconducting gap, proving it suitable for further investigation of potential Majorana modes. These results prove TaSe3 as a stoichiometric TSC candidate that is stable and exfoliable, therefore a great platform for the study of rich novel phenomena and application potentials. Copyright © 2020, The Authors. All rights reserved.

关键词： Selenium compounds

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Structural basis of ligand recognition at the human MT1 melatonin receptor (vol 569, pg 284, 2019)

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NATURE 2019年第7756期569卷 E6-E6页

作者： Stauch, Benjamin Johansson, Linda C. McCorvy, John D. Patel, Nilkanth Han, Gye Won Huang, Xi-Ping Gati, Cornelius Batyuk, Alexander Slocum, Samuel T. Ishchenko, Andrii Brehm, Wolfgang White, Thomas A. Michaelian, Nairie Madsen, Caleb Zhu, Lan Grant, Thomas D. Grandner, Jessica M. Shiriaeva, Anna Olsen, Reid H. J. Tribo, Alexandra R. Yous, Said Stevens, Raymond C. Weierstall, Uwe Katritch, Vsevolod Roth, Bryan L. Liu, Wei Cherezov, Vadim Bridge Institute USC Michelson Center for Convergent Biosciences University of Southern California Los Angeles CA USA Department of Chemistry University of Southern California Los Angeles CA USA Department of Biological Sciences University of Southern California Los Angeles CA USA Department of Pharmacology University of North Carolina at Chapel Hill Chapel Hill NC USA National Institute of Mental Health Psychoactive Drug Screening Program University of North Carolina at Chapel Hill Chapel Hill NC USA SLAC National Accelerator Laboratory Bioscience Division Menlo Park CA USA Stanford University Department of Structural Biology Stanford CA USA Linac Coherent Light Source SLAC National Accelerator Laboratory Menlo Park CA USA Center for Free-Electron Laser Science DESY Hamburg Germany Department of Physics Arizona State University Tempe AZ USA School of Molecular Sciences and Biodesign Center for Applied Structural Discovery Biodesign Institute Arizona State University Tempe AZ USA Hauptman-Woodward Institute Department of Structural Biology Jacobs School of Medicine and Biomedical Sciences University at Buffalo Buffalo NY USA Univ Lille Inserm CHU Lille UMR-S 1172 - JPArc - Centre de Recherche Jean-Pierre AUBERT Neurosciences et Cancer Lille France Division of Chemical Biology and Medicinal Chemistry Eshelman School of Pharmacy University of North Carolina at Chapel Hill Chapel Hill NC USA

Melatonin (N-acetyl-5-methoxytryptamine) is a neurohormone that maintains circadian rhythms1 by synchronization to environmental cues and is involved in diverse physiological processes2 such as the regulation of blood... 详细信息

Melatonin (N-acetyl-5-methoxytryptamine) is a neurohormone that maintains circadian rhythms¹ by synchronization to environmental cues and is involved in diverse physiological processes² such as the regulation of blood pressure and core body temperature, oncogenesis, and immune function³. Melatonin is formed in the pineal gland in a light-regulated manner⁴ by enzymatic conversion from 5-hydroxytryptamine (5-HT or serotonin), and modulates sleep and wakefulness⁵ by activating two high-affinity G-protein-coupled receptors, type 1A (MT₁) and type 1B (MT₂)^3,6. Shift work, travel, and ubiquitous artificial lighting can disrupt natural circadian rhythms; as a result, sleep disorders affect a substantial population in modern society and pose a considerable economic burden⁷. Over-the-counter melatonin is widely used to alleviate jet lag and as a safer alternative to benzodiazepines and other sleeping aids^8,9, and is one of the most popular supplements in the United States¹⁰. Here, we present high-resolution room-temperature X-ray free electron laser (XFEL) structures of MT₁ in complex with four agonists: the insomnia drug ramelteon¹¹, two melatonin analogues, and the mixed melatonin-serotonin antidepressant agomelatine^12,13. The structure of MT₂ is described in an accompanying paper¹⁴. Although the MT₁ and 5-HT receptors have similar endogenous ligands, and agomelatine acts on both receptors, the receptors differ markedly in the structure and composition of their ligand pockets; in MT₁, access to the ligand pocket is tightly sealed from solvent by extracellular loop 2, leaving only a narrow channel between transmembrane helices IV and V that connects it to the lipid bilayer. The binding site is extremely compact, and ligands interact with MT₁ mainly by strong aromatic s

关键词： G protein-coupled receptors X-ray crystallography

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Gapped nearly free-standing graphene on an SiC(0001) substrate induced by manganese atoms

arXiv

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arXiv 2018年

作者： Hwang, Jinwoong Lee, Ji-Eun Kang, Minhee Park, Byeong-Gyu Denlinger, Jonathan Mo, Sung-Kwan Hwang, Choongyu Department of Physics Pusan National University Busan46241 Korea Republic of Pohang Accelerator Laboratory Pohang University of Science and Technology Pohang37673 Korea Republic of Advanced Light Source Lawrence Berkeley National Laboratory BerkeleyCA94720 United States

The electron band structure of manganese-adsorbed graphene on an SiC(0001) substrate has been studied using angle-resolved photoemission spectroscopy. Upon introducing manganese atoms, the conduction band of graphene, that is observed in pristine graphene indicating intrinsic electron-doping by the substrate, completely disappears and the valence band maximum is observed at 0.4 eV below Fermi energy. At the same time, the slope of the valence band decreases by the presence of manganese atoms, approaching the electron band structure calculated using the local density approximation method. The former provides experimental evidence of the formation of nearly freestanding graphene on an SiC substrate, concomitant with a metal-to-insulator transition. The latter suggests that its electronic correlations are efficiently screened, suggesting that the dielectric property of the substrate is modified by manganese atoms and indicating that electronic correlations in grpahene can also be tuned by foreign atoms. These results pave the way for promising device applications using graphene that is semiconducting and charge neutral. Copyright © 2018, The Authors. All rights reserved.

关键词： Silicon carbide

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Kramers nodal lines in intercalated TaS2 superconductors

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Nature communications 2025年第1期16卷 4984页

作者： Yichen Zhang Yuxiang Gao Aki Pulkkinen Xingyao Guo Jianwei Huang Yucheng Guo Ziqin Yue Ji Seop Oh Alex Moon Mohamed Oudah Xue-Jian Gao Alberto Marmodoro Alexei Fedorov Sung-Kwan Mo Makoto Hashimoto Donghui Lu Anil Rajapitamahuni Elio Vescovo Junichiro Kono Alannah M Hallas Robert J Birgeneau Luis Balicas Ján Minár Pavan Hosur Kam Tuen Law Emilia Morosan Ming Yi Department of Physics and Astronomy Rice University Houston TX 77005 USA. New Technologies Research Center University of West Bohemia Plzen 301 00 Czech Republic. Department of Physics Hong Kong University of Science and Technology Clear Water Bay Hong Kong China. Applied Physics Graduate Program Smalley-Curl Institute Rice University Houston TX 77005 USA. Department of Physics University of California Berkeley Berkeley CA 94720 USA. National High Magnetic Field Laboratory Tallahassee Tallahassee FL 32310 USA. Physics Department Florida State University Tallahassee FL 32306 USA. Stewart Blusson Quantum Matter Institute University of British Columbia Vancouver Vancouver BC V6T 1Z4 Canada. Advanced Light Source Lawrence Berkeley National Laboratory Berkeley Berkeley CA 94720 USA. Stanford Synchrotron Radiation Lightsource SLAC National Accelerator Laboratory 2575 Sand Hill Road Menlo Park CA 94025 USA. National Synchrotron Light Source II Brookhaven National Lab Upton NY 11973 USA. Rice Center for Quantum Materials Rice University Houston TX 77005 USA. Department of Electrical and Computer Engineering Rice University Houston TX 77005 USA. Department of Materials Science and NanoEngineering Rice University Houston TX 77005 USA. Smalley-Curl Institute Rice University Houston TX 77005 USA. Department of Physics & Astronomy University of British Columbia Vancouver Vancouver BC V6T 1Z1 Canada. Canadian Institute for Advanced Research Toronto Toronto ON M5G 1M1 Canada. Materials Science Division Lawrence Berkeley National Laboratory Berkeley Berkeley CA 94720 USA. Department of Physics and Texas Center for Superconductivity University of Houston Houston TX 77204 USA. Department of Physics and Astronomy Rice University Houston TX 77005 USA. emorosan@rice.edu. Rice Center for Quantum Materials Rice University Houston TX 77005 USA. emorosan@rice.edu. Smalley-Curl Institute Rice University Houston TX 77005 USA.

Kramers degeneracy is one fundamental embodiment of the quantum mechanical nature of particles with half-integer spin under time reversal symmetry. Under the chiral and noncentrosymmetric achiral crystalline symmetries, Kramers degeneracy emerges respectively as topological quasiparticles of Weyl fermions and Kramers nodal lines (KNLs), anchoring the Berry phase-related physics of electrons. However, an experimental demonstration for ideal KNLs well isolated at the Fermi level is lacking. Here, we establish a class of noncentrosymmetric achiral intercalated transition metal dichalcogenide superconductors with large Ising-type spin-orbit coupling, represented by InTaS, to host an ideal KNL phase. We provide evidence from angle-resolved photoemission spectroscopy with spin resolution, angle-dependent quantum oscillation measurements, and ab-initio calculations. Our work not only provides a realistic platform for realizing and tuning KNLs in layered materials, but also paves the way for exploring the interplay between KNLs and superconductivity, as well as applications pertaining to spintronics, valleytronics, and nonlinear transport.

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Depth Dependence of the Photoelectron Emission Profile for Cathode Lens Microscopy

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Microscopy and Microanalysis 2018年第S2期24卷 154-155页

作者： Huang, Yen Chuang, Tzu-Hung Lu, Chun-I Huang, Chih-Heng Lin, Deng-Sung Kuo, Chien-Chen Wei, Der-Hsin Graduate Program of Science and Technology of Synchrotron Light Source National Tsing Hua University Hsinchu Taiwan National Synchrotron Radiation Research Center Hsinchu Taiwan Program of Synchrotron Radiation and Neutron Beam Applications National Sun Yat-sen University Kaohsiung Taiwan Department of Physics National Tsing Hua University Hsinchu Taiwan

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SARS-CoV-2 identified through crystallographic screening and computational docking

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science Advances 2021年第16期7卷

作者： Schuller, Marion Correy, Galen J. Gahbauer, Stefan Fearon, Daren Wu, Taiasean Díaz, Roberto Efraín Young, Iris D. Martins, Luan Carvalho Smith, Dominique H. Schulze-Gahmen, Ursula Owens, Tristan W. Deshpande, Ishan Merz, Gregory E. Thwin, Aye C. Biel, Justin T. Peters, Jessica K. Moritz, Michelle Herrera, Nadia Kratochvil, Huong T. Aimon, Anthony Bennett, James M. Neto, Jose Brandao Cohen, Aina E. Dias, Alexandre Douangamath, Alice Dunnett, Louise Fedorov, Oleg Ferla, Matteo P. Fuchs, Martin R. Gorrie-Stone, Tyler J. Holton, James M. Johnson, Michael G. Krojer, Tobias Meigs, George Powell, Ailsa J. Rack, Johannes Gregor Matthias Rangel, Victor L. Russi, Silvia Skyner, Rachael E. Smith, Clyde A. Soares, Alexei S. Wierman, Jennifer L. Zhu, Kang O Brien, Peter Jura, Natalia Ashworth, Alan Irwin, John J. Thompson, Michael C. Gestwicki, Jason E. Von Delft, Frank Shoichet, Brian K. Fraser, James S. Ahel, Ivan Sir William Dunn School of Pathology University of Oxford South Parks Road OxfordOX1 3RE United Kingdom Department of Bioengineering and Therapeutic Sciences University of California San Francisco San FranciscoCA94158 United States Department of Pharmaceutical Chemistry University of California San Francisco San FranciscoCA94158 United States Diamond Light Source Ltd. Harwell Science and Innovation Campus DidcotOX11 0DE United Kingdom Institute for Neurodegenerative Disease University of California San Francisco San FranciscoCA94158 United States Chemistry and Chemical Biology Graduate Program University of California San Francisco San FranciscoCA94158 United States Tetrad Graduate Program University of California San Francisco San FranciscoCA94158 United States Coronavirus Research Group Structural Biology Consortium University of California San Francisco San FranciscoCA94158 United States Biochemistry Department Institute for Biological Sciences Federal University of Minas Gerais Belo Horizonte Brazil Helen Diller Family Comprehensive Cancer University of California San Francisco San FranciscoCA94158 United States Centre for Medicines Discovery University of Oxford South Parks Road HeadingtonOX3 7DQ United Kingdom Stanford Synchrotron Radiation Lightsource Slac National Accelerator Center Menlo ParkCA94025 United States Wellcome Centre for Human Genetics University of Oxford Old Road Campus OxfordOX3 7BN United Kingdom National Synchrotron Light Source Ii Brookhaven National Laboratory UptonNY11973 United States Department of Biochemistry and Biophysics University of California San Francisco San FranciscoCA94158 United States Department of Molecular Biophysics and Integrated Bioimaging Lawrence Berkeley National Laboratory BerkeleyCA94720 United States ChemPartner Corporation South San FranciscoCA94080 United States Structural Genomics Consortium University of Oxford Old Road Campus HeadingtonOX3 7DQ United Kingdom School of

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) macrodomain within the nonstructural protein 3 counteracts host-mediated antiviral adenosine diphosphate ribosylation signaling. This enzyme is a promising antiviral target because catalytic mutations render viruses nonpathogenic. Here, we report a massive crystallographic screening and computational docking effort, identifying new chemical matter primarily targeting the active site of the macrodomain. Crystallographic screening of 2533 diverse fragments resulted in 214 unique macrodomain-binders. An additional 60 molecules were selected from docking more than 20 million fragments, of which 20 were crystallographically confirmed. X-ray data collection to ultra-high resolution and at physiological temperature enabled assessment of the conformational heterogeneity around the active site. Several fragment hits were confirmed by solution binding using three biophysical techniques (differential scanning fluorimetry, homogeneous time-resolved fluorescence, and isothermal titration calorimetry). The 234 fragment structures explore a wide range of chemotypes and provide starting points for development of potent SARS-CoV-2 macrodomain inhibitors. © 2021 American Association for the Advancement of science. All rights reserved.

关键词： Coronavirus

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Unravelling the orbital physics in a canonical orbital system KCuF3

arXiv

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arXiv 2020年

作者： Li, Jiemin Xu, Lei Garcia-Fernandez, Mirian Nag, Abhishek Robarts, H.C. Walters, A.C. Liu, X. Zhou, Jianshi Wohlfeld, Krzysztof van den Brink, Jeroen Ding, Hong Zhou, Ke-Jin Diamond Light Source Harwell Campus DidcotOX11 0DE United Kingdom Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing100190 China Institute for Theoretical Solid State Physics IFW Dresden Helmholtzstrasse 20 DresdenD-01069 Germany H. H. Wills Physics Laboratory University of Bristol BristolBS8 1TL United Kingdom School of Physical Science and Technology ShanghaiTech University Shanghai201210 China The Materials Science and Engineering Program Mechanical Engineering University of Texas at Austin AustinTX78712 United States Institute of Theoretical Physics Faculty of Physics University of Warsaw Pasteura 5 WarsawPL-02093 Poland Institut für Theoretische Physik and Würzburg-Dresden Cluster of Excellence ct.qmat Technische Universität Dresden Dresden01062 Germany

We explore the existence of the collective orbital excitations, orbiton, in the canonical orbital system‚ KCuF3 using the Cu L3-edge resonant inelastic X-ray scattering. We show that the nondispersive high-energy peaks result from the Cu2+ dd orbital excitations. These high-energy modes display good agreement with the ab-initio quantum chemistry calculation indicating that the dd excitations are highly localized. At the same time, the low-energy excitations present clear dispersion. They match extremely well with the two-spinon continuum following the comparison with Mueller Ansatz calculations. The localized dd excitations and the observation of the strongly dispersive magnetic excitations suggest that orbiton dispersion is below the resolution detection limit. Our results can reconcile with the strong local Jahn-Teller effect in KCuF3, which predominantly drives orbital ordering. Copyright © 2020, The Authors. All rights reserved.

关键词： Calculations

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