Physical Review Materials - November 2022

Physical Review Materials View Email Online   Volume 6, Issue 11 November 2022   View Issue   Advertisement Introducing PRX Life APS is pleased to announce the launch of the newest Physical Review title, PRX Life, a high impact, fully open access journal dedicated to publishing outstanding research at all scales of biological organization. As the first interdisciplinary journal focused exclusively on quantitative biological research, PRX Life aims to catalyze discoveries that advance our understanding of living systems by publishing research articles, perspectives, reviews, and tutorials by and for scientists working at the interface of physics and biology. Learn more and sign up for alerts »     Advertisement Attend March Meeting 2023 Early bird registration is officially open for March Meeting 2023–one of the largest and most exciting conferences in physics! Witness groundbreaking physics research, network with potential employers, and prepare for career success at March Meeting 2023. Register today »     Not an APS member? Join today to start connecting with a community of more than 50,000 physicists.   HIGHLIGHTED ARTICLES Editors' Suggestion Curvature as an external field in mechanical antiferromagnets Abigail Plummer, Paul Z. Hanakata, and David R. Nelson Phys. Rev. Materials 6, 115203 (2022) – Published 16 November 2022 The authors construct a mechanical analog of an Ising antiferromagnet by inserting a square array of locally dilated sites into a 2D crystalline membrane. Past a buckling threshold, these dilations become bistable, and buckle either above or below the host lattice. When the host lattice is planar, neighboring dilations prefer to be antialigned, but a cylindrical host lattice can bias the dilations to buckle away from the center of curvature. They show that curvature acts as an effective external field on the mechanical antiferromagnet, and map out the phase behavior of the system at zero and finite temperature. This demonstrates how curvature and temperature can be used to design and operate a responsive and tunable metamaterial at either the macroscale or nanoscale.     REVIEW ARTICLES Material candidates for thermally robust applications of selective thermophotovoltaic emitters Minsu Oh, John McElearney, Amanda Lemire, and Thomas E. Vandervelde Phys. Rev. Materials 6, 110201 (2022) – Published 7 November 2022 Thermophotovoltaic (TPV) devices generate electric power from heat by using thermal emitters and photovoltaic effects. The radiation spectrum of the emitters impacts the power output and efficiency of the TPV device. Thus, sustainable TPV devices require emitters that are thermally robust and have the optimized radiation spectrum for the targeted wavelengths. Metals, due to their refractory and optical properties, are commonly used to make TPV emitters with wavelength-selective radiation. This work reviews the physical and chemical properties of 15 refractory metals and provides criteria for determining materials for TPV emitters.     LETTERS Structural and mechanical properties Letter Network approach for the analysis of the irreversible deformation of solids with soft heterogeneities Tito Andriollo, Varvara Kouznetsova, and Laura Alessandretti Phys. Rev. Materials 6, L110601 (2022) – Published 29 November 2022   Two-dimensional materials Letter Intensive and broad bound exciton emission at cryogenic temperature in suspended monolayer transition metal dichalcogenides Yunkun Wang (王云坤), Yongzhi Xie (谢永志), Yunyun Dai (戴贇贇), Xu Han (韩旭), Yuan Huang (黄元), and Yunan Gao (高宇南) Phys. Rev. Materials 6, L111001 (2022) – Published 4 November 2022   Magnetic, ferroelectric, and multiferroic materials Letter Oxygen transport at a ferroelastic domain wall in CaTiO3 Robert Rauschen and Roger A. De Souza Phys. Rev. Materials 6, L111401 (2022) – Published 22 November 2022   Superconducting materials Letter High upper critical field (120 T) with small anisotropy of highly hydrogen-substituted SmFeAsO epitaxial film Kota Hanzawa, Jumpei Matsumoto, Soshi Iimura, Yoshimitsu Kohama, Hidenori Hiramatsu, and Hideo Hosono Phys. Rev. Materials 6, L111801 (2022) – Published 16 November 2022   ARTICLES Crystal growth, crystallization, and kinetics High-fidelity simulations and data-driven insights on rate-governing phases in duplex and triplex systems during isotropic normal grain growth P. G. Kubendran Amos, Arnd Koeppe, Ramanathan Perumal, and Britta Nestler Phys. Rev. Materials 6, 113401 (2022) – Published 17 November 2022   Temperature-dependent perpendicular anisotropy and Gilbert damping of L10−FePd films: Role of noble-metal buffer layers Dingbin Huang, Deyuan Lyu, Xinjun Wang, Michael B. Katz, Delin Zhang, Jian-Ping Wang, Daniel B. Gopman, and Xiaojia Wang Phys. Rev. Materials 6, 113402 (2022) – Published 23 November 2022   Structural and mechanical properties Influence of anharmonicity on the negative thermal expansion of α−Sn Paweł T. Jochym, Reinhard K. Kremer, Jan Łażewski, Andrzej Ptok, Przemysław Piekarz, Eva Brücher, and Andrzej M. Oleś Phys. Rev. Materials 6, 113601 (2022) – Published 2 November 2022   Theoretical antiferromagnetism of ordered face-centered cubic Cr-Ni alloys Flynn Walsh, Robert O. Ritchie, and Mark Asta Phys. Rev. Materials 6, 113602 (2022) – Published 22 November 2022   Classical and machine learning interatomic potentials for BCC vanadium Rui Wang, Xiaoxiao Ma, Linfeng Zhang, Han Wang, David J. Srolovitz, Tongqi Wen, and Zhaoxuan Wu Phys. Rev. Materials 6, 113603 (2022) – Published 23 November 2022   Development of new methods for materials Compositional engineering of perovskites with machine learning Jarno Laakso, Milica Todorović, Jingrui Li, Guo-Xu Zhang, and Patrick Rinke Phys. Rev. Materials 6, 113801 (2022) – Published 7 November 2022   Ab initio construction of full phase diagram of MgO-CaO eutectic system using neural network interatomic potentials Kyeongpung Lee, Yutack Park, and Seungwu Han Phys. Rev. Materials 6, 113802 (2022) – Published 21 November 2022   Machine learning surrogate models for strain-dependent vibrational properties and migration rates of point defects Clovis Lapointe, Thomas D. Swinburne, Laurent Proville, Charlotte S. Becquart, Normand Mousseau, and Mihai-Cosmin Marinica Phys. Rev. Materials 6, 113803 (2022) – Published 29 November 2022   Short-range order and phase stability of CrCoNi explored with machine learning potentials Sheuly Ghosh, Vadim Sotskov, Alexander V. Shapeev, Jörg Neugebauer, and Fritz Körmann Phys. Rev. Materials 6, 113804 (2022) – Published 30 November 2022   Theory of thermal properties of magnetic materials with unknown entropy Matthew Heine, Olle Hellman, and David Broido Phys. Rev. Materials 6, 113805 (2022) – Published 30 November 2022   Two-dimensional materials First-principles study of the structural and electronic properties of BN-ring doped graphene L. Caputo, V.-H. Nguyen, and J.-C. Charlier Phys. Rev. Materials 6, 114001 (2022) – Published 1 November 2022   Native defects in monolayer GaS and GaSe: Electrical properties and thermodynamic stability Daniel Barragan-Yani, Jonathan M. Polfus, and Ludger Wirtz Phys. Rev. Materials 6, 114002 (2022) – Published 17 November 2022   Electronic and thermal signatures of phosphorene grain boundaries under uniaxial strain Álvaro Rodríguez Méndez, Leonardo Medrano Sandonas, Arezoo Dianat, Rafael Gutierrez, and Gianaurelio Cuniberti Phys. Rev. Materials 6, 114003 (2022) – Published 17 November 2022   Topological and Dirac materials Theoretical and experimental investigations on Mn doped Bi2Se3 topological insulator Ravi Kumar, Soma Banik, Shashwati Sen, Shambhu Nath Jha, and Dibyendu Bhattacharyya Phys. Rev. Materials 6, 114201 (2022) – Published 28 November 2022   Creating and controlling Dirac fermions, Weyl fermions, and nodal lines in the magnetic antiperovskite Eu3PbO Moritz M. Hirschmann, Alexandra S. Gibbs, Fabio Orlandi, Dmitry Khalyavin, Pascal Manuel, Vahideh Abdolazimi, Alexander Yaresko, Jürgen Nuss, H. Takagi, Andreas P. Schnyder, and Andreas W. Rost Phys. Rev. Materials 6, 114202 (2022) – Published 28 November 2022   Electrical detection of domain evolution in magnetic Weyl semimetal Co3Sn2S2 submicrometer-wide wire devices Junichi Shiogai, Junya Ikeda, Kohei Fujiwara, Takeshi Seki, Koki Takanashi, and Atsushi Tsukazaki Phys. Rev. Materials 6, 114203 (2022) – Published 30 November 2022   Magnetic, ferroelectric, and multiferroic materials Ab initio calculation of the Hubbard U and Hund exchange J in local moment magnets: The case of Mn-based full Heusler compounds M. Tas, E. Şaşıoğlu, S. Blügel, I. Mertig, and I. Galanakis Phys. Rev. Materials 6, 114401 (2022) – Published 2 November 2022   Temperature-independent ferromagnetic resonance shift in Bi-doped YIG garnets through magnetic anisotropy tuning Diane Gouéré, Hugo Merbouche, Aya El Kanj, Felix Kohl, Cécile Carrétéro, Isabella Boventer, Romain Lebrun, Paolo Bortolotti, Vincent Cros, Jamal Ben Youssef, and Abdelmadjid Anane Phys. Rev. Materials 6, 114402 (2022) – Published 14 November 2022   Dilution of the magnetic lattice in the Kitaev candidate α−RuCl3 by Rh3+ doping Gaël Bastien, Ekaterina Vinokurova, Moritz Lange, Kranthi Kumar Bestha, Laura T. Corredor Bohorquez, Gesine Kreutzer, Axel Lubk, Thomas Doert, Bernd Büchner, Anna Isaeva, and Anja U. B. Wolter Phys. Rev. Materials 6, 114403 (2022) – Published 16 November 2022   Impact of mixed anion ordered state on the magnetic ground states of S=1/2 square-lattice quantum spin antiferromagnets, Sr2NiO3Cl and Sr2NiO3F Yoshihiro Tsujimoto, Jun Sugiyama, Masayuki Ochi, Kazuhiko Kuroki, Pascal Manuel, Dmitry D. Khalyavin, Izumi Umegaki, Martin Månsson, Daniel Andreica, Shigeo Hara, Takahiro Sakurai, Susumu Okubo, Hitoshi Ohta, Andrew Boothroyd, and Kazunari Yamaura Phys. Rev. Materials 6, 114404 (2022) – Published 17 November 2022   Single crystal growth and properties of the polar ferromagnet Mn1.05Bi with Kagome layers, huge magnetic anisotropy and slow spin dynamics Quinn D. Gibson, Craig M. Robertson, Matthew S. Dyer, Marco Zanella, T. Wesley Surta, Luke M. Daniels, John B. Claridge, Jonathan Alaria, and Matthew J. Rosseinsky Phys. Rev. Materials 6, 114405 (2022) – Published 18 November 2022   Unusual first-order magnetic phase transition and large magnetocaloric effect in Nd2In Anis Biswas, Rajiv K. Chouhan, Alex Thayer, Yaroslav Mudryk, Ihor Z. Hlova, Oleksandr Dolotko, and Vitalij K. Pecharsky Phys. Rev. Materials 6, 114406 (2022) – Published 21 November 2022   Ab initio study of stable 3d, 4d, and 5d transition-metal-based quaternary Heusler compounds S. Nepal, R. Dhakal, I. Galanakis, S. M. Winter, R. P. Adhikari, and G. C. Kaphle Phys. Rev. Materials 6, 114407 (2022) – Published 21 November 2022   Birchite Cd2Cu2(PO4)2SO4·5H2O as a model antiferromagnetic spin-1/2 Heisenberg J1−J2 chain Masayoshi Fujihala, Harald O. Jeschke, Katsuhiro Morita, Tomohiko Kuwai, Akihiro Koda, Hirotaka Okabe, Akira Matsuo, Koichi Kindo, and Setsuo Mitsuda Phys. Rev. Materials 6, 114408 (2022) – Published 29 November 2022   Semiconducting materials Ground-state structures, electronic structure, transport properties and optical properties of Ca-based anti-Ruddlesden-Popper phase oxide perovskites Dan Han, Mao-Hua Du, Menglin Huang, Shizhe Wang, Gang Tang, Thomas Bein, and Hubert Ebert Phys. Rev. Materials 6, 114601 (2022) – Published 7 November 2022   Engineering coexistence between free and trapped carriers via extrinsic polarons Shuaishuai Yuan and Kirk H. Bevan Phys. Rev. Materials 6, 114602 (2022) – Published 28 November 2022   Enhancement of excitonic and defect-related luminescence in neutron transmutation doped β−Ga2O3 Curtis P. Irvine, Attila Stopic, Mika T. Westerhausen, Matthew R. Phillips, and Cuong Ton-That Phys. Rev. Materials 6, 114603 (2022) – Published 30 November 2022   Atomic-scale characterization of single and double layers of InAs and InAlAs Stranski-Krastanov quantum dots Raja Sekhar Reddy Gajjela, Ahmad Alzeidan, Victor M. O. Curbelo, Alain A. Quivy, and Paul M. Koenraad Phys. Rev. Materials 6, 114604 (2022) – Published 30 November 2022   Superconducting materials Metastable phase of UTe2 formed under high pressure above 5 GPa Larissa Q. Huston, Dmitry Y. Popov, Ashley Weiland, Mitchell M. Bordelon, Priscila F. S. Rosa, Richard L. Rowland, II, Brian L. Scott, Guoyin Shen, Changyong Park, Eric K. Moss, S. M. Thomas, J. D. Thompson, Blake T. Sturtevant, and Eric D. Bauer Phys. Rev. Materials 6, 114801 (2022) – Published 7 November 2022   Prediction of quaternary hydrides based on densest ternary sphere packings Ryotaro Koshoji, Masahiro Fukuda, Mitsuaki Kawamura, and Taisuke Ozaki Phys. Rev. Materials 6, 114802 (2022) – Published 7 November 2022   Other electronic materials Complex dynamics in low electron density lithium ammonia solutions. Interacting modes revealed by comparing neutron and x-ray inelastic scattering Francesco Sacchetti, Franz Demmel, Eleonora Guarini, and Caterina Petrillo Phys. Rev. Materials 6, 115001 (2022) – Published 8 November 2022   Onset of vacancy-mediated high activation energy leads to large ionic conductivity in two-dimensional layered Cs2PbI2Cl2 Ruddlesden-Popper halide perovskite Nisha Hiralal Makani, Aditi Sahoo, Pulak Pal, Tufan Paul, Lokesh Singh Tanwar, Manoj Singh, Aswini Ghosh, and Rupak Banerjee Phys. Rev. Materials 6, 115002 (2022) – Published 9 November 2022   Clamping effect on temperature-induced valence transition in epitaxial EuPd2Si2 thin films grown on MgO(001) Sebastian Kölsch, Alfons Schuck, Michael Huth, Olena Fedchenko, Dmitry Vasilyev, Sergeij Chernov, Olena Tkach, Hans-Joachim Elmers, Gerd Schönhense, Christoph Schlüter, Thiago R. F. Peixoto, Andrii Gloskowski, and Cornelius Krellner Phys. Rev. Materials 6, 115003 (2022) – Published 10 November 2022   Thermal properties of the metallic delafossite PdCoO2: A combined experimental and first-principles study Yi Zhang (張易), Amartyajyoti Saha, Fred Tutt, Vipul Chaturvedi, Bryan Voigt, William Moore, Javier Garcia-Barriocanal, Turan Birol, and Chris Leighton Phys. Rev. Materials 6, 115004 (2022) – Published 18 November 2022   Metamaterials, optical, photonic, and plasmonic materials Electronic structure, vibrational properties, and optical spectra of two- and three-dimensional hexagonal InSe: Layer-dependent ab initio calculations Mousa Bejani, Olivia Pulci, Naser Karimi, Elena Cannuccia, and Friedhelm Bechstedt Phys. Rev. Materials 6, 115201 (2022) – Published 7 November 2022   Misfit-generated structural and optical anisotropies of the natural MoS2−PbS van der Waals heterostructure merelaniite Luca Bindi, Arindam Dasgupta, Pinaki Mukherjee, Jie Gao, Xiaodong Yang, and John A. Jaszczak Phys. Rev. Materials 6, 115202 (2022) – Published 10 November 2022   Editors' Suggestion Curvature as an external field in mechanical antiferromagnets Abigail Plummer, Paul Z. Hanakata, and David R. Nelson Phys. Rev. Materials 6, 115203 (2022) – Published 16 November 2022 The authors construct a mechanical analog of an Ising antiferromagnet by inserting a square array of locally dilated sites into a 2D crystalline membrane. Past a buckling threshold, these dilations become bistable, and buckle either above or below the host lattice. When the host lattice is planar, neighboring dilations prefer to be antialigned, but a cylindrical host lattice can bias the dilations to buckle away from the center of curvature. They show that curvature acts as an effective external field on the mechanical antiferromagnet, and map out the phase behavior of the system at zero and finite temperature. This demonstrates how curvature and temperature can be used to design and operate a responsive and tunable metamaterial at either the macroscale or nanoscale.     Materials for energy harvesting, storage, and generation First-principles investigation of phase stability in layered NaxCrO2 Jonas L. Kaufman and Anton Van der Ven Phys. Rev. Materials 6, 115401 (2022) – Published 1 November 2022   Optical phonons and magnetoelastic coupling in the ionic conductor AgCrSe2 Jim Groefsema, Xuanbo Feng (馮翾博), Corentin Morice, Yingkai Huang, and Erik van Heumen Phys. Rev. Materials 6, 115402 (2022) – Published 3 November 2022   Correlation of structure and ionic-conductivity in phosphate glass using MAS-NMR and impedance spectroscopy: Influence of sodium salt Indrajeet Mandal, Shweta R. Keshri, Lekhan Lodhi, Krishna K. Dey, Manasi Ghosh, Aswini Ghosh, and Amarnath R. Allu Phys. Rev. Materials 6, 115403 (2022) – Published 9 November 2022   Soft, molecular, and amorphous materials Machine-learning-based prediction of first-principles XANES spectra for amorphous materials Haruki Hirai, Takumi Iizawa, Tomoyuki Tamura, Masayuki Karasuyama, Ryo Kobayashi, and Takakazu Hirose Phys. Rev. Materials 6, 115601 (2022) – Published 17 November 2022   Theoretical model for prediction of high-strength metallic glasses Nicolas Argibay and Michael Chandross Phys. Rev. Materials 6, 115602 (2022) – Published 22 November 2022   Materials for catalysis and electrochemistry Growing borophene on metal substrates: A theoretical study of the role of oxygen on Al(111) Mandana Safari, Erik Vesselli, Stefano de Gironcoli, and Stefano Baroni Phys. Rev. Materials 6, 115801 (2022) – Published 29 November 2022   Nanomaterials Stability of and conduction in single-walled Si2BN nanotubes Deobrat Singh, Vivekanand Shukla, Nabil Khossossi, Per Hyldgaard, and Rajeev Ahuja Phys. Rev. Materials 6, 116001 (2022) – Published 2 November 2022   How nanoporous silicon-polypyrrole hybrids flex their muscles in aqueous electrolytes: In operando high-resolution x-ray diffraction and electron tomography-based micromechanical computer simulations Manuel Brinker, Marc Thelen, Manfred May, Dagmar Rings, Tobias Krekeler, Pirmin Lakner, Thomas F. Keller, Florian Bertram, Norbert Huber, and Patrick Huber Phys. Rev. Materials 6, 116002 (2022) – Published 28 November 2022   Materials for Quantum Technologies THz-induced activation of hidden states in rare-earth-doped BiFeO3 solid solutions Sergey Prosandeev and Laurent Bellaiche Phys. Rev. Materials 6, 116201 (2022) – Published 14 November 2022     American Physical Society: 1 Physics Ellipse, College Park, MD 20740 ©2022 American Physical Society | All rights reserved   You are receiving this email because you are subscribed to Table of Content alerts. If you no longer wish to receive these emails, please update your preferences.