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Switching friction at a manganite surface using electric fields Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-25 H. Schmidt; J.-O. Krisponeit; N. Weber; K. Samwer; C. A. Volkert
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Interplay between morphology and magnetoelectric coupling in Fe/PMN-PT multiferroic heterostructures studied by microscopy techniques Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-25 Federico Motti; Giovanni Vinai; Valentina Bonanni; Vincent Polewczyk; Paola Mantegazza; Thomas Forrest; Francesco Maccherozzi; Stefania Benedetti; Christian Rinaldi; Matteo Cantoni; Damiano Cassese; Stefano Prato; Sarnjeet S. Dhesi; Giorgio Rossi; Giancarlo Panaccione; Piero Torelli
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Antisite disorder in the battery materialLiFePO4 Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-25 J. Werner; C. Neef; C. Koo; S. Zvyagin; A. Ponomaryov; R. Klingeler
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Work-function modification of PEG(thiol) adsorbed on the Au(111) surface: A first-principles study Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-25 Jongmin Kim; Andris Gulans; Claudia Draxl
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Electronic structure and small-hole polarons inYTiO3 Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-24 Jin Yue; Nicholas F. Quackenbush; Iflah Laraib; Henry Carfagno; Sajna Hameed; Abhinav Prakash; Laxman R. Thoutam; James M. Ablett; Tien-Lin Lee; Martin Greven; Matthew F. Doty; Anderson Janotti; Bharat Jalan
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Bi2Se3thin films heteroepitaxially grown onα−RuCl3 Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-24 Joon Young Park; Janghyun Jo; Jennifer A. Sears; Young-June Kim; Miyoung Kim; Philip Kim; Gyu-Chul Yi
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Predicting plasticity in disordered solids from structural indicators Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-24 D. Richard; M. Ozawa; S. Patinet; E. Stanifer; B. Shang; S. A. Ridout; B. Xu; G. Zhang; P. K. Morse; J.-L. Barrat; L. Berthier; M. L. Falk; P. Guan; A. J. Liu; K. Martens; S. Sastry; D. Vandembroucq; E. Lerner; M. L. Manning
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Equilibration and filtering of quantum Hall edge states in few-layer black phosphorus Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-24 Jiawei Yang; Kangyu Wang; Shi Che; Zachary J. Tuchfeld; Kenji Watanabe; Takashi Taniguchi; Dmitry Shcherbakov; Seongphil Moon; Dmitry Smirnov; Ruoyu Chen; Marc Bockrath; Chun Ning Lau
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Multiphase structural models and hyperpolarizability calculations explain second-order nonlinear optical properties of stilbazolium ions Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-24 Christopher M. Ashcroft; Jacqueline M. Cole; Tze-Chia Lin; Seung-Chul Lee; Lorraine A. Malaspina; O-Pil Kwon
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Impact of domains on the orthorhombic-tetragonal transition ofBaTiO3: Anab initiostudy Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-23 Anna Grünebohm; Madhura Marathe
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Temperature-dependent lattice dynamics in iridium Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-20 Duncan H. Moseley; Simon J. Thébaud; Lucas R. Lindsay; Yongqiang Cheng; Douglas L. Abernathy; Michael E. Manley; Raphael P. Hermann
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Spatially correlated incommensurate lattice modulations in an atomically thin high-temperatureBi2.1Sr1.9CaCu2.0O8+ysuperconductor Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-20 Nicola Poccia; Shu Yang Frank Zhao; Hyobin Yoo; Xiaojing Huang; Hanfei Yan; Yong S. Chu; Ruidan Zhong; Genda Gu; Claudio Mazzoli; Kenji Watanabe; Takashi Taniguchi; Gaetano Campi; Valerii M. Vinokur; Philip Kim
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Strongly two-dimensional exchange interactions in the in-plane metallic antiferromagnetFe2Asprobed by inelastic neutron scattering Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-20 Manohar H. Karigerasi; Kisung Kang; Garrett E. Granroth; Arnab Banerjee; André Schleife; Daniel P. Shoemaker
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Development of a general-purpose machine-learning interatomic potential for aluminum by the physically informed neural network method Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-19 G. P. Purja Pun; V. Yamakov; J. Hickman; E. H. Glaessgen; Y. Mishin
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Electronic voltage control of magnetic anisotropy at room temperature in high-κSrTiO3/Co/Pttrilayer Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-19 Bart F. Vermeulen; Johan Swerts; Sébastien Couet; Mihaela Popovici; Iuliana P. Radu; Joris Van de Vondel; Kristiaan Temst; Guido Groeseneken; Koen Martens
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UncollapsedLaFe2As2phase: Compensated, highly doped, electron-phonon-coupled, iron-based superconductor Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-19 Ilaria Pallecchi; Akira Iyo; Hiraku Ogino; Marco Affronte; Marina Putti
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Two-dimensional electron systems in perovskite oxide heterostructures: Role of the polarity-induced substitutional defects Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-19 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
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Intrinsic spin Hall effect in topological insulators: A first-principles study Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-18 S. M. Farzaneh; Shaloo Rakheja
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Editorial: Promoting Inclusive and Respectful Communications Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-18 Michael Thoennessen
DOI:https://doi.org/10.1103/PhysRevMaterials.4.110001
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Ternary hypervalent silicon hydrides via lithium at high pressure Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-18 Tianxiao Liang; Zihan Zhang; Xiaolei Feng; Haojun Jia; Chris J. Pickard; Simon A. T. Redfern; Defang Duan
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Structural and mechanical characteristics of sphere packings near the jamming transition: From fully amorphous to quasiordered structures Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-18 Hideyuki Mizuno; Kuniyasu Saitoh; Leonardo E. Silbert
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Understanding the effects of intercalated molecules on structural superlubric contacts Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-17 Yao Cheng; Ming Ma
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Canted antiferromagnetism in high-purityNaFeF3prepared by a novel wet-chemical synthesis method Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-17 Fabian L. M. Bernal; Bruno Gonano; Fredrik Lundvall; David S. Wragg; Helmer Fjellvåg; Fabien Veillon; Wojciech A. Sławiński; Øystein S. Fjellvåg
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Structure and magnetism of the skyrmion hosting familyGaV4S8−ySeywith low levels of substitutions between0≤y≤0.5and7.5≤y≤8 Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-17 S. J. R. Holt; A. Štefančič; C. Ritter; A. E. Hall; M. R. Lees; G. Balakrishnan
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Role of local temperature in the current-driven metal–insulator transition ofCa2RuO4 Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-17 Giordano Mattoni; Shingo Yonezawa; Fumihiko Nakamura; Yoshiteru Maeno
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Mechanism of stacking fault formation in metal(100) heteroepitaxial growth Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-16 Indiras Khatri; Ehsan H. Sabbar; Yunsic Shim; Jacques G. Amar
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First-principles investigations of the pressure-induced phase transformations and properties of crystalline and amorphous AlN Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-16 V. I. Ivashchenko; P. E. A. Turchi; R. V. Shevchenko; Leonid Gorb; Jerzy Leszczynski
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Validating first-principles molecular dynamics calculations of oxide/water interfaces with x-ray reflectivity data Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-16 Katherine J. Harmon; Kendra Letchworth-Weaver; Alex P. Gaiduk; Federico Giberti; Francois Gygi; Maria K. Y. Chan; Paul Fenter; Giulia Galli
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Beyond two-center tight binding: Models for Mg and Zr Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-16 R. M. Fogarty; J. Smutna; M. R. Wenman; A. P. Horsfield
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Strong conventional and rotating magnetocaloric effects inTbVO4crystals over a wide cryogenic temperature range Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-16 M. Balli; S. Mansouri; D. Z. Dimitrov; P. Fournier; S. Jandl; Jenh-Yih Juang
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Electron-phonon coupling superconductivity in two-dimensional orthorhombicMB6(M=Mg,Ca,Ti,Y)and hexagonalMB6(M=Mg,Ca,Sc,Ti) Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-16 Tao Bo; Peng-Fei Liu; Luo Yan; Bao-Tian Wang
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Exploration of the bond angle and charge carrier density by rare-earth doping inSr2IrO4 Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-16 Hui Huang; Ping Ji; Yu Xie; Hui Han; Binghui Ge
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Smecticlike rheology and pseudolayer compression elastic constant of a twist-bend nematic liquid crystal Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-16 M. Praveen Kumar; P. Kula; Surajit Dhara
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High-throughput study of the static dielectric constant at high temperatures in oxide and fluoride cubic perovskites Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-13 Ambroise van Roekeghem; Jesús Carrete; Stefano Curtarolo; Natalio Mingo
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Mesoscopic structure of mixed type domain walls in multiaxial ferroelectrics Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-13 Anna N. Morozovska; Eugene A. Eliseev; Yevhen M. Fomichov; Sergei V. Kalinin
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Proximity-induced magnetization in graphene: Towards efficient spin gating Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-13 Mihovil Bosnar; Ivor Lončarić; P. Lazić; K. D. Belashchenko; Igor Žutić
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Electronic structure of the high-mobility two-dimensional antiferromagnetic metalGdTe3 Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-12 J. S. Liu; S. C. Huan; Z. H. Liu; W. L. Liu; Z. T. Liu; X. L. Lu; Z. Huang; Z. C. Jiang; X. Wang; N. Yu; Z. Q. Zou; Y. F. Guo; D. W. Shen
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Adsorption-controlled growth ofMnTe(Bi2Te3)nby molecular beam epitaxy exhibiting stoichiometry-controlled magnetism Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-11 Jason Lapano; Lauren Nuckols; Alessandro R. Mazza; Yun-Yi Pai; Jie Zhang; Ben Lawrie; Rob G. Moore; Gyula Eres; Ho Nyung Lee; Mao-Hua Du; T. Zac Ward; Joon Sue Lee; William J. Weber; Yanwen Zhang; Matthew Brahlek
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Intermediate Yb valence in the Zintl phasesYb14MSb11(M=Zn,Mn,Mg): XANES, magnetism, and heat capacity Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-11 Allan He; Elizabeth L. Kunz Wille; Liane M. Moreau; Sean M. Thomas; Jon M. Lawrence; Eric D. Bauer; Corwin H. Booth; Susan M. Kauzlarich
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Discovering rare-earth-free magnetic materials through the development of a database Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-11 Masahiro Sakurai; Renhai Wang; Timothy Liao; Chao Zhang; Huaijun Sun; Yang Sun; Haidi Wang; Xin Zhao; Songyou Wang; Balamurugan Balasubramanian; Xiaoshan Xu; David J. Sellmyer; Vladimir Antropov; Jianhua Zhang; Cai-Zhuang Wang; Kai-Ming Ho; James R. Chelikowsky
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Domain fluctuations in a ferroelectric low-strainBaTiO3thin film Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-11 Jianheng Li; Louie Zhong; Rahul Jangid; Meera; Geoffery Rippy; Kenneth Ainslie; Chris Kohne; Arnoud S. Everhardt; Beatriz Noheda; Yugang Zhang; Andrei Fluerasu; Sylvia Matzen; Roopali Kukreja
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Discovering hierarchies among intermetallic crystal structures Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-10 Sanjeev Krishna Kolli; Anirudh Raju Natarajan; John C. Thomas; Tresa M. Pollock; Anton Van der Ven
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Nature of native atomic defects inZrTe5and their impact on the low-energy electronic structure Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-10 B. Salzmann; A. Pulkkinen; B. Hildebrand; T. Jaouen; S. N. Zhang; E. Martino; Q. Li; G. Gu; H. Berger; O. V. Yazyev; A. Akrap; C. Monney
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Chemical bonding in metallic glasses from machine learning and crystal orbital Hamilton population Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-09 Ary R. Ferreira
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Low-symmetry two-dimensionalBNP2andC2SiSstructures with high and anisotropic carrier mobilities Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-09 Shixin Song; Jie Guan; David Tománek
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Lead chloride perovskites forp-type transparent conductors: A critical theoretical reevaluation Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-09 Sanlue Hu; Bing Xia; Yanfa Yan; Zewen Xiao
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Shuffling mode competition leads to directionally anisotropic mobility of faceted Σ11 boundaries in fcc metals Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-09 Megan J. McCarthy; Timothy J. Rupert
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Effects of the atomic order on the half-metallic electronic structure in theCo2Fe(Ga0.5Ge0.5)Heusler alloy thin film Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-09 K. Goto; L. S. R. Kumara; Y. Sakuraba; Y. Miura; I. Kurniawan; A. Yasui; H. Tajiri; Y. Fujita; Z. Chen; K. Hono
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Plasmon coupling in topological insulator multilayers Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-09 Zhengtianye Wang; Theresa P. Ginley; Sivakumar Vishnuvardhan Mambakkam; Greeshma Chandan; Yuying Zhang; Chaoying Ni; Stephanie Law
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Influence of the nature of the anchoring group on the interfacial energy level alignment in dye-sensitized solar cells: A theoretical perspective Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-06 Imane Arbouch; Yasser Karzazi; Jérôme Cornil
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Prediction of formation energies of large-scale disordered systems via active-learning-based executions ofab initiolocal-energy calculations: A case study on a Fe random grain boundary model with millions of atoms Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-05 Tomoyuki Tamura; Masayuki Karasuyama
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Structure of disorderedTiO2phases fromab initiobased deep neural network simulations Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-05 Marcos F. Calegari Andrade; Annabella Selloni
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First-principles investigation of charged dopants and dopant-vacancy defect complexes in monolayerMoS2 Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-05 Anne Marie Z. Tan; Christoph Freysoldt; Richard G. Hennig
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Tuning structural and electronic properties of two-dimensional aluminum monochalcogenides: Prediction of JanusAl2XX′(X/X′:O,S,Se,Te)monolayers Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-05 M. Demirtas; M. Jahangirzadeh Varjovi; M. M. Cicek; E. Durgun
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Cross-sectional scanning tunneling microscopy of InAs/GaAs(001) submonolayer quantum dots Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-05 R. S. R. Gajjela; A. L. Hendriks; A. Alzeidan; T. F. Cantalice; A. A. Quivy; P. M. Koenraad
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Effect of hydrogen on vacancy diffusion Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-04 Sebastián Echeverri Restrepo; Henry Lambert; Anthony T. Paxton
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Short-range order in face-centered cubic VCoNi alloys Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-04 Tatiana Kostiuchenko; Andrei V. Ruban; Jörg Neugebauer; Alexander Shapeev; Fritz Körmann
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Tailoring magnetism in self-intercalatedCr1+δTe2epitaxial films Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-04 Y. Fujisawa; M. Pardo-Almanza; J. Garland; K. Yamagami; X. Zhu; X. Chen; K. Araki; T. Takeda; M. Kobayashi; Y. Takeda; C. H. Hsu; F. C. Chuang; R. Laskowski; K. H. Khoo; A. Soumyanarayanan; Y. Okada
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Influence of local lattice structure on magnetic properties inY2Fe17compounds Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-04 Jun-ichiro Inoue; Takuya Yoshioka; Hiroki Tsuchiura
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Unexpected dependence of the anomalous Hall angle on the Hall conductivity in amorphous transition metal thin films Phys. Rev. Materials (IF 3.337) Pub Date : 2020-11-04 J. Karel; D. S. Bouma; C. Fuchs; S. Bennett; P. Corbae; S. B. Song; B. H. Zhang; R. Q. Wu; F. Hellman
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