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Topological surface states ofMnBi2Te4at finite temperatures and at domain walls Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-24 Kevin F. Garrity; Sugata Chowdhury; Francesca M. Tavazza
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Core energies of dislocations in bcc metals Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-24 N. Bertin; W. Cai; S. Aubry; V. V. Bulatov
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Surface and bulk ferroelectric phase transition in super-tetragonalBiFeO3thin films Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-23 Myriam Lachheb; Qiuxiang Zhu; Stéphane Fusil; Qiang Wu; Cécile Carrétéro; Aymeric Vecchiola; Manuel Bibes; Dominique Martinotti; Claire Mathieu; Christophe Lubin; Alexandre Pancotti; Xiaoyan Li-Bourrelier; Alexandre Gloter; Brahim Dkhil; Vincent Garcia; Nick Barrett
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Post-growth annealing effects on charge and spin excitations inNd2−xCexCuO4 Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-23 Kenji Ishii; Shun Asano; Masumi Ashida; Masaki Fujita; Biqiong Yu; Martin Greven; Jun Okamoto; Di-Jing Huang; Jun'ichiro Mizuki
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Nucleation site potency distributions in thermoelastic martensitic transformation inNi43Co7Mn39Sn11particles Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-22 Yijia Zhang; Carlos Lago; Ibrahim Karaman; Patrick J. Shamberger
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Structural twinning-induced insulating phase in CrN (111) films Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-22 Qiao Jin; Zhiwen Wang; Qinghua Zhang; Jiali Zhao; Hu Cheng; Shan Lin; Shengru Chen; Shuang Chen; Haizhong Guo; Meng He; Chen Ge; Can Wang; Jia-Ou Wang; Lin Gu; Shanmin Wang; Hongxin Yang; Kui-juan Jin; Er-Jia Guo
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Li interaction-induced phase transition from black to blue phosphorene Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-22 Md Rajib Khan Musa; Congyan Zhang; Manthila Rajapakse; Jacek B. Jasinski; Gamini Sumanasekera; Ming Yu
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Unveiling the spin-to-charge current conversion signal in the topological insulatorBi2Se3by means of spin pumping experiments Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-22 J. B. S. Mendes; M. Gamino; R. O. Cunha; J. E. Abrão; S. M. Rezende; A. Azevedo
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Unlocking the origin of compositional fluctuations in InGaN light emitting diodes Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-22 Tara P. Mishra; Govindo J. Syaranamual; Zeyu Deng (邓泽宇); Jing Yang Chung; Li Zhang; Sarah A. Goodman; Lewys Jones; Michel Bosman; Silvija Gradečak; Stephen J. Pennycook; Pieremanuele Canepa
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Unexplored MBE growth mode reveals new properties of superconducting NbN Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-22 John Wright; Celesta Chang; Dacen Waters; Felix Lüpke; Randall Feenstra; Lucy Raymond; Rosalyn Koscica; Guru Khalsa; David Muller; Huili G. Xing; Debdeep Jena
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Large cross-polarized Raman signal inCrI3: A first-principles study Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-22 Ming Lei; Sinisa Coh
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Tuning thermal transport in highly cross-linked polymers by bond-induced void engineering Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-22 Debashish Mukherji; Manjesh Kumar Singh
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Liquid metal intercalation of epitaxial graphene: Large-area gallenene layer fabrication through gallium self-propagation at ambient conditions Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-19 S. Wundrack; D. Momeni; W. Dempwolf; N. Schmidt; K. Pierz; L. Michaliszyn; H. Spende; A. Schmidt; H. W. Schumacher; R. Stosch; A. Bakin
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Structure, phase stability, half-metallicity, and fully spin-polarized Weyl states in compoundNaV2O4: An example for topological spintronic material Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-19 Tingli He; Xiaoming Zhang; Tie Yang; Ying Liu; Xuefang Dai; Guodong Liu
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Regularly multiple double Dirac cones in photonic bands and topological transitions of all-dielectric photonic crystals Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-18 Meng-Cheng Jin; Yong-Feng Gao; Quan-Long Ma; Wei Zhang; He Song; Jia-Ping Sun
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Ab initioatomistic description of temperature-induced phase changes: The cases of zirconia and Ti-Y-co-doped zirconia Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-17 Fabio Negreiros Ribeiro; Dolores Ribeiro Ricci Lazar; Valter Ussui; Nelson Batista de Lima; Juliana Marchi; Gustavo Martini Dalpian
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Phase diagram and superlattice structures of monolayer phosphorus carbide (PxC1−x) Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-17 Xiaoyang Ma; Jun Zhou; Tong Yang; Dechun Li; Yuan Ping Feng
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First-principles characterization of the magnetic properties ofCu2(OH)3Br Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-16 Dominique M. Gautreau; Amartyajyoti Saha; Turan Birol
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4f-block elemental-atom-embeddedgh−C3N4monolayers: Large magnetic moment, high-temperature ferromagnetism, and huge magnetic anisotropy energy Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-16 Hongkuan Yuan; Yaqing Chen; Xiaotian Wang; Mingmin Zhong; Tie Yang; Peng Wang; Meng Ju; Hong Cui; Hong Chen
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Stability of spin-gapless semiconducting behavior inTi2CoSi,Ti2MnAl, andTi2VAsHeusler compounds Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-16 Kemal Özdoğan; Iosif Galanakis
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Probing configurational disorder inZnGeN2using cluster-based Monte Carlo Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-16 Jacob J. Cordell; Jie Pan; Adele C. Tamboli; Garritt J. Tucker; Stephan Lany
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Erratum: In-plane ordering of oxygen vacancies in a high-Tccuprate superconductor with compressed Cu-O octahedrons: An automated cluster expansion study [Phys. Rev. Materials4, 044801 (2020)] Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-16 Yunhao Li; Shiqiao Du; Zheng-Yu Weng; Zheng Liu
DOI:https://doi.org/10.1103/PhysRevMaterials.5.029901
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Substitutional tuning of electronic phase separation inCaFe3O5 Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-15 Ka H. Hong; Elena Solana-Madruga; Branislav Viliam Hakala; Midori Amano Patino; Pascal Manuel; Yuichi Shimakawa; J. Paul Attfield
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Defect-assisted nonradiative recombination inCu2ZnSnSe4: A comparative study withCu2ZnSnS4 Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-15 Yonggang Xu; Ji-Hui Yang; Shiyou Chen; Xin-Gao Gong
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Guided tearing: The ruler test Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-15 Alejandro Ibarra; Juan-Francisco Fuentealba; José Bico; Benoît Roman; Francisco Melo
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Quantitative prediction of the fracture toughness of amorphous carbon from atomic-scale simulations Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-12 S. Mostafa Khosrownejad; James R. Kermode; Lars Pastewka
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Bridging hexatic and tetratic phases in binary mixtures through near critical point fluctuations Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-12 B. P. Prajwal; Fernando A. Escobedo
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Remote free-carrier screening to boost the mobility of Fröhlich-limited two-dimensional semiconductors Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-12 Thibault Sohier; Marco Gibertini; Matthieu J. Verstraete
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Modification of the van der Waals interaction at theBi2Te3and Ge(111) interface Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-12 Kenji Nawa; Demie Kepaptsoglou; Arsham Ghasemi; Philip Hasnip; Guillermo Bárcena-González; Giuseppe Nicotra; Pedro L. Galindo; Quentin M. Ramasse; Kohji Nakamura; Susannah C. Speller; Balati Kuerbanjiang; Thorsten Hesjedal; Vlado K. Lazarov
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Stability and bonding nature of clathrate H cages in a near-room-temperature superconductorLaH10 Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-11 Seho Yi; Chongze Wang; Hyunsoo Jeon; Jun-Hyung Cho
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Tight-binding bond parameters for dimers across the periodic table from density-functional theory Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-10 Jan Jenke; Alvin N. Ladines; Thomas Hammerschmidt; David G. Pettifor; Ralf Drautz
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Directed long-range transport of a nearly pure component atom clusters by the electromigration of a binary surface alloy Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-10 Mikhail Khenner
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Optimized structure and electronic band gap of monolayer GeSe from quantum Monte Carlo methods Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-10 Hyeondeok Shin; Jaron T. Krogel; Kevin Gasperich; Paul R. C. Kent; Anouar Benali; Olle Heinonen
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Control of magnetic properties in ferrimagnetic GdFe and TbFe thin films byHe+andNe+irradiation Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-10 Michal Krupinski; Julian Hintermayr; Pawel Sobieszczyk; Manfred Albrecht
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Robust perpendicular magnetic anisotropy ofCo3Sn2S2phase in sulfur deficient sputtered thin films Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-09 Junichi Shiogai; Junya Ikeda; Kohei Fujiwara; Takeshi Seki; Koki Takanashi; Atsushi Tsukazaki
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Patterning enhanced tetragonality inBiFeO3thin films with effective negative pressure by helium implantation Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-09 C. Toulouse; J. Fischer; S. Farokhipoor; L. Yedra; F. Carlà; A. Jarnac; E. Elkaim; P. Fertey; J.-N. Audinot; T. Wirtz; B. Noheda; V. Garcia; S. Fusil; I. Peral Alonso; M. Guennou; J. Kreisel
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Efficient strain-induced light emission in lonsdaleite germanium Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-08 Jens Renè Suckert; Claudia Rödl; Jürgen Furthmüller; Friedhelm Bechstedt; Silvana Botti
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Design of memristor materials from ordered-vacancy zincblende semiconductors Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-08 Shao-Gang Xu; Peng Zhang; Xiuwen Zhang
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Magnetic and electron transport properties ofCo2Sinanomagnets Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-05 Balamurugan Balasubramanian; Tom A. George; Priyanka Manchanda; Rabindra Pahari; Ahsan Ullah; Ralph Skomski; David J. Sellmyer
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Thermodynamic stability and electronic structure of pristine wurtziteZnO{0001}inversion domain boundaries Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-04 Jochen Rohrer; Karsten Albe
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Large enhancement of thermopower at low magnetic field in compensated semimetals Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-03 Xiaozhou Feng; Brian Skinner
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Cubic metamaterial crystal supporting broadband isotropic chiral phonons Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-03 Yi Chen; Tobias Frenzel; Quan Zhang; Muamer Kadic; Martin Wegener
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Multistability of isolated and hydrogenated Ga–O divacancies inβ−Ga2O3 Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-03 Y. K. Frodason; C. Zimmermann; E. F. Verhoeven; P. M. Weiser; L. Vines; J. B. Varley
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Electronic properties of semiconductingZn(Si,Ge,Sn)N2alloys Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-02 Masako Ogura; Dan Han; Monika M. Pointner; Laura S. Junkers; Stefan S. Rudel; Wolfgang Schnick; Hubert Ebert
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Plasmons in anisotropic Dirac systems Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-01 Roland Hayn; Te Wei; Vyacheslav M. Silkin; Jeroen van den Brink
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Influence of dislocations and twin walls inBaTiO3on the voltage-controlled switching of perpendicular magnetization Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-01 M. Goiriena-Goikoetxea; Z. Xiao; A. El-Ghazaly; C. V. Stan; J. Chatterjee; A. Ceballos; A. Pattabi; N. Tamura; R. Lo Conte; F. Hellman; R. Candler; J. Bokor
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Orbital ordering in the layered perovskite materialCsVF4 Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-01 Ling-Fang Lin; Nitin Kaushal; Yang Zhang; Adriana Moreo; Elbio Dagotto
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Dual lattice incommensurabilities and enhanced lattice perfection by low-temperature thermal annealing in photoelectric(CH3NH3)PbBr3 Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-01 Wen-Hsien Li; Chi-Hung Lee; Tsu-Yin Ling; Ma-Hsuan Ma; Pai-Chun Wei; Jr-Hau He; Chun-Min Wu; Jen-Chih Peng; Guangyong Xu; Yang Zhao; Jeffrey W. Lynn
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Reemergence of superconductivity in pressurized quasi-one-dimensional superconductorK2Mo3As3 Phys. Rev. Materials (IF 3.337) Pub Date : 2021-02-01 Cheng Huang; Jing Guo; Kang Zhao; Fan Cui; Shengshan Qin; Qingge Mu; Yazhou Zhou; Shu Cai; Chongli Yang; Sijin Long; Ke Yang; Aiguo Li; Qi Wu; Zhian Ren; Jiangping Hu; Liling Sun
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Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulations Phys. Rev. Materials (IF 3.337) Pub Date : 2021-01-29 N. Kvashin; N. Anento; D. Terentyev; A. Bakaev; A. Serra
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Semimetallicity and electron-hole liquid in two-dimensional C and BN based compounds Phys. Rev. Materials (IF 3.337) Pub Date : 2021-01-29 Alejandro Lopez-Bezanilla; Peter B. Littlewood
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Flat bands in twisted bilayers of polar two-dimensional semiconductors Phys. Rev. Materials (IF 3.337) Pub Date : 2021-01-29 Xing-Ju Zhao; Yang Yang; Dong-Bo Zhang; Su-Huai Wei
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Denitrogenation process inThMn12nitride byin situneutron powder diffraction Phys. Rev. Materials (IF 3.337) Pub Date : 2021-01-29 A. Aubert; I. Puente-Orench; J. M. Porro; S. Luca; J. S. Garitaonandia; J. M. Barandiaran; G. C. Hadjipanayis
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Enhanced superconductivity in the Se-substituted 1T-PdTe2 Phys. Rev. Materials (IF 3.337) Pub Date : 2021-01-29 Wenhao Liu; Sheng Li; Hanlin Wu; Nikhil Dhale; Pawan Koirala; Bing Lv
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Interference effects in high-order harmonics from colloidal perovskite nanocrystals excited by an elliptically polarized laser Phys. Rev. Materials (IF 3.337) Pub Date : 2021-01-29 Kotaro Nakagawa; Hideki Hirori; Yasuyuki Sanari; Fumiya Sekiguchi; Ryota Sato; Masaki Saruyama; Toshiharu Teranishi; Yoshihiko Kanemitsu
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Interface pinning causes the hysteresis of the hydride transformation in binary metal hydrides Phys. Rev. Materials (IF 3.337) Pub Date : 2021-01-28 Nicholas J. Weadock; Peter W. Voorhees; Brent Fultz
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All-electron periodicG0W0implementation with numerical atomic orbital basis functions: Algorithm and benchmarks Phys. Rev. Materials (IF 3.337) Pub Date : 2021-01-28 Xinguo Ren; Florian Merz; Hong Jiang; Yi Yao; Markus Rampp; Hermann Lederer; Volker Blum; Matthias Scheffler
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High-temperature electrical and thermal transport properties of polycrystallinePdCoO2 Phys. Rev. Materials (IF 3.337) Pub Date : 2021-01-28 P. Yordanov; A. S. Gibbs; P. Kaya; S. Bette; W. Xie; X. Xiao; A. Weidenkaff; H. Takagi; B. Keimer
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Studying the kinetics of microstructure formation through dewetting of As-Se thin films Phys. Rev. Materials (IF 3.337) Pub Date : 2021-01-28 Y. N. Colmenares; Sandra Helena Messaddeq; Younès Messaddeq
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Anomalous electronic properties in layered, disordered ZnVSb Phys. Rev. Materials (IF 3.337) Pub Date : 2021-01-27 Erik A. Bensen; Kamil Ciesielski; Lídia C. Gomes; Brenden R. Ortiz; Johannes Falke; Orest Pavlosiuk; Daniel Weber; Tara L. Braden; Kenneth X. Steirer; Damian Szymański; Joshua E. Goldberger; Chang-Yang Kuo; Chien-Te Chen; Chun-Fu Chang; Liu Hao Tjeng; Dariusz Kaczorowski; Elif Ertekin; Eric S. Toberer
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