Physical Review Materials - September 2023

Physical Review Materials View Email Online   Volume 7, Issue 9 September 2023   View Issue   Advertisement Physical Review B​ is looking for a new part-time (remote) Associate Editor PRB seeks an Associate Editor to manage the peer review process of assigned manuscripts by determining whether to send a manuscript out for external review, choosing appropriate reviewers, and making decisions on rejection or acceptance. More information.     Advertisement Make your manuscript publication-ready with Author Services from APS! Do you need language assistance for your next submission? Take advantage of new translation, figure assistance, and text editing services provided by APS and Editage. Experience exceptional support, expertise, and dedication for all your publishing needs. Get a quote.     Advertisement Submit Your Abstract for APS March Meeting 2024 The abstract submission deadline is quickly approaching! Don't miss this opportunity to showcase your work to a global audience of physicists, scientists, and students representing 32 APS Units and Committees and explore groundbreaking research from industry, academia, and major labs. Submit your abstract by October 20.     Not an APS member? Join today to start connecting with a community of more than 50,000 physicists.   EDITORIALS AND ANNOUNCEMENTS Editorial: To Review Is to Be Randall D. Kamien Phys. Rev. Materials 7, 090001 (2023) – Published 25 September 2023   HIGHLIGHTED ARTICLES Featured in Physics Editors' Suggestion Letter Probing complex stacking in a layered material via electron-nuclear quadrupolar coupling Li Cheng, Linpeng Nie, Xuanyu Long, Li Liang, Dan Zhao, Jian Li, Zheng Liu, Tao Wu, Xianhui Chen, Wenhui Duan, and Xiaolong Zou Phys. Rev. Materials 7, L091001 (2023) – Published 27 September 2023 Synopsis:A Fine Probe of Layer Stacking The combination of nuclear magnetic resonance with first-principles calculations uncovers the stacking patterns of layers of a quantum material—information that could enable a deeper understanding of the material's behavior.     Editors' Suggestion Combining electron-phonon and dynamical mean-field theory calculations of correlated materials: Transport in the correlated metal Sr2RuO4 David J. Abramovitch, Jin-Jian Zhou, Jernej Mravlje, Antoine Georges, and Marco Bernardi Phys. Rev. Materials 7, 093801 (2023) – Published 1 September 2023 In correlated quantum materials, strong electronic interactions lead to unconventional transport and exotic phases. Dynamical mean field theory (DMFT) calculations can describe the purely electronic dynamics in these materials. Here, the authors integrate into this framework the interactions between electrons and lattice vibrations (phonons). They apply this method to the correlated metal Sr2RuO4, elucidating the respective contributions of electron-electron and electron-phonon scattering to the resistivity and spectral functions. The method presented in this work enables future studies of electron-phonon physics in various classes of correlated materials, including Mott insulators, high-Tc superconductors and strange metals.     LETTERS Two-dimensional materials Featured in Physics Editors' Suggestion Letter Probing complex stacking in a layered material via electron-nuclear quadrupolar coupling Li Cheng, Linpeng Nie, Xuanyu Long, Li Liang, Dan Zhao, Jian Li, Zheng Liu, Tao Wu, Xianhui Chen, Wenhui Duan, and Xiaolong Zou Phys. Rev. Materials 7, L091001 (2023) – Published 27 September 2023 Synopsis:A Fine Probe of Layer Stacking The combination of nuclear magnetic resonance with first-principles calculations uncovers the stacking patterns of layers of a quantum material—information that could enable a deeper understanding of the material's behavior.     Magnetic, ferroelectric, and multiferroic materials Letter Field-induced quantum phase in a frustrated zigzag-square lattice Hironori Yamaguchi, Kazutoshi Shimamura, Yasuo Yoshida, Akira Matsuo, Koichi Kindo, Kiichi Nakano, Satoshi Morota, Yuko Hosokoshi, Takanori Kida, Yoshiki Iwasaki, Seiya Shimono, Koji Araki, and Masayuki Hagiwara Phys. Rev. Materials 7, L091401 (2023) – Published 25 September 2023   Materials for energy harvesting, storage, and generation Letter Anharmonic fluctuations govern the band gap of halide perovskites Stefan A. Seidl, Xiangzhou Zhu, Guy Reuveni, Sigalit Aharon, Christian Gehrmann, Sebastián Caicedo-Dávila, Omer Yaffe, and David A. Egger Phys. Rev. Materials 7, L092401 (2023) – Published 1 September 2023   ARTICLES Crystal growth, crystallization, and kinetics Driving force induced transition in thermal behavior of grain boundary migration in Ni Xinyuan Song and Chuang Deng Phys. Rev. Materials 7, 093401 (2023) – Published 27 September 2023   Oxygen and aluminum tracer diffusion in (−201) oriented β−Ga2O3 single crystals Johanna Uhlendorf and Harald Schmidt Phys. Rev. Materials 7, 093402 (2023) – Published 29 September 2023   Structural and mechanical properties Deep neural network potential for simulating hydrogen blistering in tungsten Xiao-Yang Wang, Yi-Nan Wang, Ke Xu, Fu-Zhi Dai, Hai-Feng Liu, Guang-Hong Lu, and Han Wang Phys. Rev. Materials 7, 093601 (2023) – Published 6 September 2023   Structural evolution of vacancy clusters in α-iron: A kinetic activation-relaxation technique study Md Mijanur Rahman, Fedwa El-Mellouhi, and Normand Mousseau Phys. Rev. Materials 7, 093602 (2023) – Published 11 September 2023   Connecting mechanical properties to hydrogen defects in PAN-based carbon fibers Z. E. Brubaker, S. B. Isbill, A. J. Miskowiec, W. S. Charlton, L. Daemen, and J. L. Niedziela Phys. Rev. Materials 7, 093603 (2023) – Published 14 September 2023   Role of structural defects in mediating disordering processes at irradiated epitaxial Fe3O4/Cr2O3 interfaces Tiffany C. Kaspar, Steven R. Spurgeon, Kayla H. Yano, Bethany E. Matthews, Mark E. Bowden, Colin Ophus, Hyosim Kim, Yongqiang Wang, and Daniel K. Schreiber Phys. Rev. Materials 7, 093604 (2023) – Published 14 September 2023   Polytypism of layered MX2 materials Emma H. Wolpert, Simon J. Cassidy, and Andrew L. Goodwin Phys. Rev. Materials 7, 093605 (2023) – Published 19 September 2023   Development of new methods for materials Editors' Suggestion Combining electron-phonon and dynamical mean-field theory calculations of correlated materials: Transport in the correlated metal Sr2RuO4 David J. Abramovitch, Jin-Jian Zhou, Jernej Mravlje, Antoine Georges, and Marco Bernardi Phys. Rev. Materials 7, 093801 (2023) – Published 1 September 2023 In correlated quantum materials, strong electronic interactions lead to unconventional transport and exotic phases. Dynamical mean field theory (DMFT) calculations can describe the purely electronic dynamics in these materials. Here, the authors integrate into this framework the interactions between electrons and lattice vibrations (phonons). They apply this method to the correlated metal Sr2RuO4, elucidating the respective contributions of electron-electron and electron-phonon scattering to the resistivity and spectral functions. The method presented in this work enables future studies of electron-phonon physics in various classes of correlated materials, including Mott insulators, high-Tc superconductors and strange metals.     Machine-learning surrogate model for accelerating the search of stable ternary alloys M. Minotakis, H. Rossignol, M. Cobelli, and S. Sanvito Phys. Rev. Materials 7, 093802 (2023) – Published 18 September 2023   Right band gaps for the right reason at low computational cost with a meta-GGA Timo Lebeda, Thilo Aschebrock, Jianwei Sun, Linn Leppert, and Stephan Kümmel Phys. Rev. Materials 7, 093803 (2023) – Published 19 September 2023   Ranking Pareto optimal solutions based on projection free energy Ryo Tamura, Kei Terayama, Masato Sumita, and Koji Tsuda Phys. Rev. Materials 7, 093804 (2023) – Published 19 September 2023   Quasicrystals predicted and discovered by machine learning Chang Liu, Koichi Kitahara, Asuka Ishikawa, Takanobu Hiroto, Alok Singh, Erina Fujita, Yukari Katsura, Yuki Inada, Ryuji Tamura, Kaoru Kimura, and Ryo Yoshida Phys. Rev. Materials 7, 093805 (2023) – Published 25 September 2023   Two-dimensional materials Studies of two-dimensional material resistive random-access memory by kinetic Monte Carlo simulations Ying-Chuan Chen, Yu-Ting Chao, Edward Chen, Chao-Hsin Wu, and Yuh-Renn Wu Phys. Rev. Materials 7, 094001 (2023) – Published 5 September 2023   Cluster charge-density-wave glass in hydrogen-intercalated TiSe2 Giacomo Prando, Erik Piatti, Dario Daghero, Renato S. Gonnelli, and Pietro Carretta Phys. Rev. Materials 7, 094002 (2023) – Published 5 September 2023   Charge transfer due to defects in hexagonal boron nitride/graphene heterostructures: An ab initio study Madhava Krishna Prasad, Oras A. Al-Ani, Jonathan P. Goss, and Jonathan D. Mar Phys. Rev. Materials 7, 094003 (2023) – Published 12 September 2023   Layer-dependent Raman spectroscopy of ultrathin Ta2Pd3Te5 Zhenyu Sun, Zhaopeng Guo, Dayu Yan, Peng Cheng, Lan Chen, Youguo Shi, Yuan Huang, Zhijun Wang, Kehui Wu, and Baojie Feng Phys. Rev. Materials 7, 094004 (2023) – Published 14 September 2023   Topological and Dirac materials Constraints on proximity-induced ferromagnetism in a Dirac semimetal (Cd3As2)/ferromagnetic semiconductor (Ga1−xMnxSb) heterostructure Arpita Mitra, Run Xiao, Wilson Yanez, Yongxi Ou, Juan Chamorro, Tyrel McQueen, Alexander J. Grutter, Julie A. Borchers, Michael R. Fitzsimmons, Timothy R. Charlton, and Nitin Samarth Phys. Rev. Materials 7, 094201 (2023) – Published 11 September 2023   Complementary screening for quantum spin Hall insulators in two-dimensional exfoliable materials Davide Grassano, Davide Campi, Antimo Marrazzo, and Nicola Marzari Phys. Rev. Materials 7, 094202 (2023) – Published 13 September 2023   Using optical spectroscopy to probe the impact of atomic disorder on the Heusler alloy Co2MnGa Ben Mallett, Yao Zhang, Catherine Pot, Kiri Van Koughnet, Blake Stanley, Robert G. Buckley, Annette Koo, Yuefeng Yin, Nikhil V. Medhekar, and Simon Granville Phys. Rev. Materials 7, 094203 (2023) – Published 14 September 2023   Investigation of the anomalous and topological Hall effects in layered monoclinic ferromagnet Cr2.76Te4 Shubham Purwar, Achintya Low, Anumita Bose, Awadhesh Narayan, and S. Thirupathaiah Phys. Rev. Materials 7, 094204 (2023) – Published 28 September 2023   Magnetic, ferroelectric, and multiferroic materials Continuous tuning of compensated ferrimagnetism in Gd3–xHoxFe5O12 thin films Hao Bai, Wenlong Si, Heng-An Zhou, Ledong Wang, Teng Xu, Yiqing Dong, Jing Zhu, and Wanjun Jiang Phys. Rev. Materials 7, 094401 (2023) – Published 6 September 2023   Magnetic order in the Seff=1/2 triangular-lattice compound NdCd3P3 Juan R. Chamorro, Azzedin R. Jackson, Aurland K. Watkins, Ram Seshadri, and Stephen D. Wilson Phys. Rev. Materials 7, 094402 (2023) – Published 8 September 2023   Collective magnetic state induced by charge disorder in the non-Kramers rare-earth pyrochlore Tb2ScNbO7 Yann Alexanian, Elsa Lhotel, Rafik Ballou, Claire V. Colin, Holger Klein, Antonin Le Priol, Flavien Museur, Julien Robert, Elise Pachoud, Pascal Lejay, Abdellali Hadj-Azzem, Bjorn Fåk, Quentin Berrod, Jean-Marc Zanotti, Emmanuelle Suard, Catherine Dejoie, Sophie de Brion, and Virginie Simonet Phys. Rev. Materials 7, 094403 (2023) – Published 15 September 2023   Magnetic properties of the quasi-one-dimensional S=1 spin chain antiferromagnet BaNiTe2O7 Xiyu Chen, Yiming Gao, Meifeng Liu, Tao Zou, V. Ovidiu Garlea, Clarina dela Cruz, Zhen Liu, Wenjing Niu, Leili Tan, Guanzhong Zhou, Fei Liu, Shuhan Zheng, Zhen Ma, Xiuzhang Wang, Hong Li, Shuai Dong, and Jun-Ming Liu Phys. Rev. Materials 7, 094404 (2023) – Published 19 September 2023   Aluminium substituted yttrium iron garnet thin films with reduced Curie temperature D. Scheffler, O. Steuer, S. Zhou, L. Siegl, S. T. B. Goennenwein, and M. Lammel Phys. Rev. Materials 7, 094405 (2023) – Published 20 September 2023   Optimization of growth of large-area SnS thin films and heterostructures for spin pumping and spin-orbit torque Himanshu Bangar, Pankhuri Gupta, Rajendra Singh, Pranaba Kishor Muduli, Sheetal Dewan, and Samaresh Das Phys. Rev. Materials 7, 094406 (2023) – Published 25 September 2023   Tetrahedral rotations in the alkaline-earth metal orthovanadates Amartyajyoti Saha and Turan Birol Phys. Rev. Materials 7, 094407 (2023) – Published 28 September 2023   Semiconducting materials Structural transition and anisotropic magnetism in disordered Zintl phase Eu7Ga6Sb8 Matthew S. Cook, Elizabeth A. Peterson, Clément Girod, Ashley Weiland, Jian-Xin Zhu, J. D. Thompson, Sean M. Thomas, and Priscila F. S. Rosa Phys. Rev. Materials 7, 094601 (2023) – Published 15 September 2023   Structural, optical, and thermal properties of BN thin films grown on diamond via pulsed laser deposition Abhijit Biswas, Gustavo A. Alvarez, Tao Li, Joyce Christiansen-Salameh, Eugene Jeong, Anand B. Puthirath, Sathvik Ajay Iyengar, Chenxi Li, Tia Gray, Xiang Zhang, Tymofii S. Pieshkov, Harikishan Kannan, Jacob Elkins, Robert Vajtai, A. Glen Birdwell, Mahesh R. Neupane, Elias J. Garratt, Bradford B. Pate, Tony G. Ivanov, Yuji Zhao, Zhiting Tian, and Pulickel M. Ajayan Phys. Rev. Materials 7, 094602 (2023) – Published 20 September 2023   Cation segregation observed in an (In,Ga)2O3 material thin film library beyond the miscibility limit of the bixbyite structure S. Montag, D. Splith, M. Kneiß, M. Grundmann, J. Garcia Fernandez, Ø. Prytz, and H. von Wenckstern Phys. Rev. Materials 7, 094603 (2023) – Published 26 September 2023   Glasslike thermal conductivity and narrow insulating gap of EuTiO3 Alexandre Jaoui, Shan Jiang, Xiaokang Li, Yasuhide Tomioka, Isao H. Inoue, Johannes Engelmayer, Rohit Sharma, Lara Pätzold, Thomas Lorenz, Benoît Fauqué, and Kamran Behnia Phys. Rev. Materials 7, 094604 (2023) – Published 28 September 2023   Superconducting materials Charge-carrier-type controlled superconducting dome in ZrNxOy films Xinbo Bai, Fucong Chen, Yuxin Wang, Juan Xu, Ruozhou Zhang, Mingyang Qin, Wenxin Cheng, Jinsong Zhang, Qiuyan Shi, Xu Wang, Beiyi Zhu, Jie Yuan, Qihong Chen, Jian Kang, Kun Jiang, Jiangping Hu, Yangmu Li, Kui Jin, and Zhongxian Zhao Phys. Rev. Materials 7, 094801 (2023) – Published 12 September 2023   Metamaterials, optical, photonic, and plasmonic materials Ultrastrong plasmon-phonon coupling in double-layer graphene intercalated with a transition-metal dichalcogenide Z. H. Tao, E. B. Barros, J. P. da C. Nogueira, F. M. Peeters, A. Chaves, M. V. Milošević, and I. R. Lavor Phys. Rev. Materials 7, 095201 (2023) – Published 28 September 2023   Materials for energy harvesting, storage, and generation Effect of hydrostatic pressure and alloying on thermoelectric properties of van der Waals solid KMgSb: An ab initio study Vikrant Chaudhary, Tulika Maitra, Tashi Nautiyal, Jeroen van den Brink, and Hem C. Kandpal Phys. Rev. Materials 7, 095401 (2023) – Published 19 September 2023   Tuning of structure and host dynamics via yttrium doping in Bi2O3 to enhance oxygen ion diffusion Prabhatasree Goel, Mayanak K. Gupta, Sajan Kumar, Ranjan Mittal, Aditya Prasad Roy, Dipanshu Bansal, Manh Duc Le, Rakesh Shukla, Srungarpu N. Achary, Sanghamitra Mukhopadhyay, Avesh K. Tyagi, and Samrath L. Chaplot Phys. Rev. Materials 7, 095402 (2023) – Published 25 September 2023   Soft, molecular, and amorphous materials Controlled mechanical failure in glasses via designed spatial inhomogeneity Vinay Vaibhav, Jürgen Horbach, and Pinaki Chaudhuri Phys. Rev. Materials 7, 095601 (2023) – Published 11 September 2023   Flexible control of terahertz chirality in twisted nematic liquid crystal cell with submillimeter thickness Hui-Jun Zhao, Fei Fan, Song-Lin Jiang, Xin-Hao Jiang, Yun-Yun Ji, and Sheng-Jiang Chang Phys. Rev. Materials 7, 095602 (2023) – Published 21 September 2023   Materials for catalysis and electrochemistry Impact of the energy landscape on the ionic transport of disordered rocksalt cathodes Shashwat Anand, Bin Ouyang, Tina Chen, and Gerbrand Ceder Phys. Rev. Materials 7, 095801 (2023) – Published 11 September 2023   Construction and analysis of surface phase diagrams to describe segregation and dissolution behavior of Al and Ca in Mg alloys Jing Yang, K. B. Sravan Kumar, Mira Todorova, and Jörg Neugebauer Phys. Rev. Materials 7, 095802 (2023) – Published 12 September 2023   Nanomaterials Liquid-solid and vapor-solid distributions of vapor-liquid-solid III-V ternary nanowires Vladimir G. Dubrovskii Phys. Rev. Materials 7, 096001 (2023) – Published 11 September 2023   Materials for Quantum Technologies Photoinduced structural recovery dynamics of rare-earth nickelate thin films Jugal Mehta, Scott Smith, Jianheng Li, Kenneth Ainslie, Nadia Albayati, Toyanath Joshi, Pooja Rao, Yu-Hsing Cheng, Spencer Jeppson, Rahul Jangid, Evguenia Karapetrova, Donald A. Walko, Haidan Wen, David Lederman, and Roopali Kukreja Phys. Rev. Materials 7, 096201 (2023) – Published 7 September 2023   Positively charged carbon vacancy defect as a near-infrared emitter in 4H-SiC Meysam Mohseni, Péter Udvarhelyi, Gergő Thiering, and Adam Gali Phys. Rev. Materials 7, 096202 (2023) – Published 8 September 2023   ERRATA Erratum: YbV3Sb4 and EuV3Sb4 vanadium-based kagome metals with Yb2+ and Eu2+ zigzag chains [Phys. Rev. Materials 7, 064201 (2023)] Brenden R. Ortiz, Ganesh Pokharel, Malia Gundayao, Hong Li, Farnaz Kaboudvand, Linus Kautzsch, Suchismita Sarker, Jacob P. C. Ruff, Tom Hogan, Steven J. Gomez Alvarado, Paul M. Sarte, Guang Wu, Tara Braden, Ram Seshadri, Eric S. Toberer, Ilija Zeljkovic, and Stephen D. Wilson Phys. Rev. Materials 7, 099901 (2023) – Published 5 September 2023     American Physical Society: 1 Physics Ellipse, College Park, MD 20740 ©2023 American Physical Society | All rights reserved   You are receiving this email because you are subscribed to Table of Content alerts. 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