Volume 7, Issue 9

September 2023

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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

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 ${Sr}_{2} {RuO}_{4}$

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 Sr $_{2}$ RuO $_{4}$ , 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

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 $β − G a_{2} O_{3}$ 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 ${Fe}_{3} O_{4} / {Cr}_{2} O_{3}$ 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 $M X_{2}$ 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 ${Sr}_{2} {RuO}_{4}$

David J. Abramovitch, Jin-Jian Zhou, Jernej Mravlje, Antoine Georges, and Marco Bernardi

Phys. Rev. Materials 7, 093801 (2023) - Published 1 September, 2023

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 ${TiSe}_{2}$

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 ${Ta}_{2} {Pd}_{3} {Te}_{5}$

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 $({Cd}_{3} {As}_{2}) / ferromagnetic$ semiconductor $({Ga}_{1 - x} {Mn}_{x} Sb)$ 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 $C o_{2} MnGa$

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 ${Cr}_{2.76} {Te}_{4}$

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 ${Gd}_{3 – x} {Ho}_{x} {Fe}_{5} O_{12}$ 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 $S_{eff} = 1 / 2$ triangular-lattice compound ${NdCd}_{3} P_{3}$

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 ${Tb}_{2} {ScNbO}_{7}$

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 $BaNi {Te}_{2} O_{7}$

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 ${Eu}_{7} {Ga}_{6} {Sb}_{8}$

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) $_{2} O_{3}$ 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 ${EuTiO}_{3}$

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 $Zr N_{x} O_{y}$ 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 ${Bi}_{2} O_{3}$ 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: ${YbV}_{3} {Sb}_{4}$ and ${EuV}_{3} {Sb}_{4}$ vanadium-based kagome metals with ${Yb}^{2 +}$ and ${Eu}^{2 +}$ 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