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Physical Review Materials - December 2022

Physical Review Materials

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Volume 6, Issue 12

December 2022
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HIGHLIGHTED ARTICLES

Editors' Suggestion
Spin-wave study of magnetic perpendicular surface anisotropy in single crystalline MgO/Fe/MgO films
J. Solano, O. Gladii, P. Kuntz, Y. Henry, D. Halley, and M. Bailleul
Phys. Rev. Materials 6, 124409 (2022) – Published 20 December 2022

The authors report an experimental separation of the two perpendicular surface anisotropies present in MgO/Fe/MgO epitaxial films through a careful study of inhomogeneous magnetization dynamics. This is achieved by combining the strengths of two experimental techniques: the frequency broadband capabilities of ferromagnetic resonance and the precise determination of non-reciprocal propagation via propagating spin wave spectroscopy. This new experimental approach allows to separate the top and bottom perpendicular surface anisotropies often measured together in thin films, and it provides new light into the technologically-relevant ferromagnet/MgO interfaces and their effect on spin waves.

LETTERS

Topological and Dirac materials

Letter
Epitaxial growth, magnetoresistance, and electronic band structure of GdSb magnetic semimetal films
Hadass S. Inbar, Dai Q. Ho, Shouvik Chatterjee, Mihir Pendharkar, Aaron N. Engel, Jason T. Dong, Shoaib Khalid, Yu Hao Chang, Taozhi Guo, Alexei V. Fedorov, Donghui Lu, Makoto Hashimoto, Dan Read, Anderson Janotti, and Christopher J. Palmstrøm
Phys. Rev. Materials 6, L121201 (2022) – Published 9 December 2022

Soft, molecular, and amorphous materials

Letter
Plastic ridge formation in a compressed thin amorphous film
Gianfranco Cordella, Francesco Puosi, Antonio Tripodo, Dino Leporini, and Anaël Lemaître
Phys. Rev. Materials 6, L122601 (2022) – Published 19 December 2022

ARTICLES

Structural and mechanical properties

Molecular dynamics simulations of austenite-martensite interface migration in NiTi alloy
Gabriel Plummer, Mikhail I. Mendelev, and John W. Lawson
Phys. Rev. Materials 6, 123601 (2022) – Published 5 December 2022
Discovery of multimechanisms of screw dislocation interaction in bcc iron from open-ended saddle point searches
Xiaoyang Wang, Yifan Wang, Wei Cai, and Haixuan Xu
Phys. Rev. Materials 6, 123602 (2022) – Published 5 December 2022
Highly interpretable machine learning framework for prediction of mechanical properties of nickel based superalloys
Nikhil Khatavkar and Abhishek Kumar Singh
Phys. Rev. Materials 6, 123603 (2022) – Published 7 December 2022
Internal mechanical dissipation mechanisms in amorphous silicon
Carl Lévesque, Sjoerd Roorda, François Schiettekatte, and Normand Mousseau
Phys. Rev. Materials 6, 123604 (2022) – Published 9 December 2022
Role of breaking physical crosslinks on safeguarding polymer networks
Wei Li, Holger Merlitz, Chen-Xu Wu, and Xue-Zheng Cao
Phys. Rev. Materials 6, 123605 (2022) – Published 26 December 2022

Development of new methods for materials

Bayesian optimization of discrete dislocation plasticity of two-dimensional precipitation-hardened crystals
Mika Sarvilahti and Lasse Laurson
Phys. Rev. Materials 6, 123801 (2022) – Published 6 December 2022
Denoising scanning tunneling microscopy images of graphene with supervised machine learning
Frédéric Joucken, John L. Davenport, Zhehao Ge, Eberth A. Quezada-Lopez, Takashi Taniguchi, Kenji Watanabe, Jairo Velasco, Jr., Jérôme Lagoute, and Robert A. Kaindl
Phys. Rev. Materials 6, 123802 (2022) – Published 9 December 2022
Accurate property prediction with interpretable machine learning model for small datasets via transformed atom vector
Xinyu Chen, Shuaihua Lu, Xinyang Wan, Qian Chen, Qionghua Zhou, and Jinlan Wang
Phys. Rev. Materials 6, 123803 (2022) – Published 21 December 2022
First-principles-based screening method for resistivity scaling of anisotropic metals
Kristof Moors, Kiroubanand Sankaran, Geoffrey Pourtois, and Christoph Adelmann
Phys. Rev. Materials 6, 123804 (2022) – Published 23 December 2022

Two-dimensional materials

Layered polymorph of titanium triiodide
Danrui Ni, Ranuri S. Dissanayaka Mudiyanselage, Xianghan Xu, Junsik Mun, Yimei Zhu, Weiwei Xie, and R. J. Cava
Phys. Rev. Materials 6, 124001 (2022) – Published 1 December 2022
Exciton transport in a moiré potential: From hopping to dispersive regime
Willy Knorr, Samuel Brem, Giuseppe Meneghini, and Ermin Malic
Phys. Rev. Materials 6, 124002 (2022) – Published 7 December 2022
Formation of graphene nanoribbons on the macrofacets of vicinal 6H-SiC(0001) surfaces
Kohei Fukuma, Anton Visikovskiy, Takushi Iimori, Toshio Miyamachi, Fumio Komori, and Satoru Tanaka
Phys. Rev. Materials 6, 124003 (2022) – Published 9 December 2022
Optimizing density-functional simulations for two-dimensional metals
Kameyab Raza Abidi and Pekka Koskinen
Phys. Rev. Materials 6, 124004 (2022) – Published 27 December 2022
Nanolaminated Fe2AB2 and Mn2AB2 (A = Al,Si,Ga,In) materials and the assessment of their electronic correlations
Edirisuriya M. Dilanga Siriwardane, Turan Birol, Onur Erten, and Deniz Çakır
Phys. Rev. Materials 6, 124005 (2022) – Published 28 December 2022

Topological and Dirac materials

All hourglass bosonic excitations in the 1651 magnetic space groups and 528 magnetic layer groups
Dongze Fan, Xiangang Wan, and Feng Tang
Phys. Rev. Materials 6, 124201 (2022) – Published 20 December 2022
Evolution of extremely large magnetoresistance in a Weyl semimetal, WTe2 with Ni-doping
Abhishek Singh, Souvik Sasmal, Kartik K. Iyer, A. Thamizhavel, and Kalobaran Maiti
Phys. Rev. Materials 6, 124202 (2022) – Published 23 December 2022

Magnetic, ferroelectric, and multiferroic materials

Structures and velocities of noisy ferroelectric domain walls
Nora Bauer, Sabine M. Neumayer, Petro Maksymovych, and Maxim O. Lavrentovich
Phys. Rev. Materials 6, 124401 (2022) – Published 5 December 2022
Influence of the cation distribution, atomic substitution, and atomic vacancies on the physical properties of CoFe2O4 and NiFe2O4 spinel ferrites
Kedar Sharma, Lionel Calmels, Dongzhe Li, Antoine Barbier, and Rémi Arras
Phys. Rev. Materials 6, 124402 (2022) – Published 5 December 2022
Hidden variable in the electrocaloric effect of ferroics
Ravi Kashikar, Subhashree Chatterjee, Folarin Shola Taofeek, Abhisikta Barman, Shubhankar Barman, Sohini Kar-Narayan, Anuja Datta, Sergey Lisenkov, Devajyoti Mukherjee, and I. Ponomareva
Phys. Rev. Materials 6, 124403 (2022) – Published 5 December 2022
Electric field control of electromagnon frequency in multiferroics
S. Omid Sayedaghaee, Charles Paillard, Sergey Prosandeev, Sergei Prokhorenko, Yousra Nahas, Bin Xu, and L. Bellaiche
Phys. Rev. Materials 6, 124404 (2022) – Published 6 December 2022
Unusual ferrimagnetism in CaFe2O4
Hiroki Ueda, Elizabeth Skoropata, Cinthia Piamonteze, Nazaret Ortiz Hernández, Max Burian, Yoshikazu Tanaka, Christine Klauser, Silvia Damerio, Beatriz Noheda, and Urs Staub
Phys. Rev. Materials 6, 124405 (2022) – Published 8 December 2022
Complex magnetic behavior in Ho2Re3Si5 single crystal
Vikash Sharma, Shovan Dan, Suman Nandi, Gourav Dwari, Bishal Baran Maity, Suman Sanki, Ruta Kulkarni, and A. Thamizhavel
Phys. Rev. Materials 6, 124406 (2022) – Published 14 December 2022
Magnetic interactions in the one-dimensional spin-chain metal-organic compounds M(N2H5)2(SO4)2 (M=Cu, Co, Mn)
S. Calder, L. D. Sanjeewa, V. O. Garlea, J. Xing, R. J. Terry, and J. W. Kolis
Phys. Rev. Materials 6, 124407 (2022) – Published 19 December 2022
Crystal structures, frustrated magnetism, and chemical pressure in Sr-doped Ba3NiSb2O9 perovskites
Mélanie Viaud, Catherine Guillot-Deudon, Eric Gautron, Maria Teresa Caldes, Guido Berlanda, Philippe Deniard, Philippe Boullay, Florence Porcher, Carole La, Céline Darie, A. Zorko, A. Ozarowski, Fabrice Bert, Philippe Mendels, and Christophe Payen
Phys. Rev. Materials 6, 124408 (2022) – Published 20 December 2022
Editors' Suggestion
Spin-wave study of magnetic perpendicular surface anisotropy in single crystalline MgO/Fe/MgO films
J. Solano, O. Gladii, P. Kuntz, Y. Henry, D. Halley, and M. Bailleul
Phys. Rev. Materials 6, 124409 (2022) – Published 20 December 2022

The authors report an experimental separation of the two perpendicular surface anisotropies present in MgO/Fe/MgO epitaxial films through a careful study of inhomogeneous magnetization dynamics. This is achieved by combining the strengths of two experimental techniques: the frequency broadband capabilities of ferromagnetic resonance and the precise determination of non-reciprocal propagation via propagating spin wave spectroscopy. This new experimental approach allows to separate the top and bottom perpendicular surface anisotropies often measured together in thin films, and it provides new light into the technologically-relevant ferromagnet/MgO interfaces and their effect on spin waves.

Anomalous evolution of the magnetocaloric effect in dilute triangular Ising antiferromagnets Tb1−xYx(HCO2)3
Mario Falsaperna, Johnathan M. Bulled, Gavin B. G. Stenning, Andrew L. Goodwin, and Paul J. Saines
Phys. Rev. Materials 6, 124410 (2022) – Published 22 December 2022
Screening-induced phase transitions in core-shell ferroic nanoparticles
Anna N. Morozovska, Eugene A. Eliseev, Yulian M. Vysochanskii, Viktoria V. Khist, and Dean R. Evans
Phys. Rev. Materials 6, 124411 (2022) – Published 22 December 2022
Competition between spin-glass and antiferromagnetic states in Tsai-type 1/1 and 2/1 quasicrystal approximants
Farid Labib, Hiroyuki Takakura, Asuka Ishikawa, and Ryuji Tamura
Phys. Rev. Materials 6, 124412 (2022) – Published 27 December 2022
Avalanches during ferroelectric and ferroelastic switching in barium titanate ceramics
Yangyang Xu, Guomang Shao, Jianbo Pang, Yumei Zhou, Xiangdong Ding, Jun Sun, Turab Lookman, E. K. H. Salje, and Dezhen Xue
Phys. Rev. Materials 6, 124413 (2022) – Published 28 December 2022
Phase transitions in the ferroelectric relaxor (1−x)Pb(Mg1/3Nb2/3)O3−xPbTiO3 close to the morphotropic phase boundary
Sergey Kustov, Juan Miguez Obrero, Xiebin Wang, Dragan Damjanovic, and Ekhard K. H. Salje
Phys. Rev. Materials 6, 124414 (2022) – Published 28 December 2022

Semiconducting materials

Dielectric function of CuBrxI1−x alloy thin films
Michael Seifert, Evgeny Krüger, Michael S. Bar, Stefan Merker, Holger von Wenckstern, Harald Krautscheid, Marius Grundmann, Chris Sturm, and Silvana Botti
Phys. Rev. Materials 6, 124601 (2022) – Published 7 December 2022
Li and group-III impurity doping in ZnSnN2: Potential and limitations
Vegard Skiftestad Olsen, Ymir Kalmann Frodason, Ylva Knausgaard Hommedal, Dina Marie Nielsen, Philip Michael Weiser, Klaus Magnus Haaland Johansen, In-Hwan Lee, Andrej Yu Kuznetsov, and Lasse Vines
Phys. Rev. Materials 6, 124602 (2022) – Published 26 December 2022
Atomically resolved study of initial stages of hydrogen etching and adsorption on GaAs(110)
D. S. Rosenzweig, M. N. L. Hansemann, M. Schnedler, Ph. Ebert, and H. Eisele
Phys. Rev. Materials 6, 124603 (2022) – Published 27 December 2022

Superconducting materials

Temperature dependence of the superconducting gap of single-layer FeSe/SrTiO3: Direct comparison between transport and spectroscopic measurements
Koshiro Ide, Tomoaki Tanaka, Asger Pedersen, Satoru Ichinokura, and Toru Hirahara
Phys. Rev. Materials 6, 124801 (2022) – Published 2 December 2022
Rotation of the dislocation grid in multilayer FeSe films and visualization of electronic nematic domains via orbital-selective tunneling
Zheng Ren, Hong Li, He Zhao, Shrinkhala Sharma, and Ilija Zeljkovic
Phys. Rev. Materials 6, 124802 (2022) – Published 12 December 2022
Enhancement of superconductivity and suppression of charge-density wave in As-doped CsV3Sb5
Yi Liu, Chang-Chao Liu, Qin-Qing Zhu, Liang-Wen Ji, Si-Qi Wu, Yun-Lei Sun, Jin-Ke Bao, Wen-He Jiao, Xiao-Feng Xu, Zhi Ren, and Guang-Han Cao
Phys. Rev. Materials 6, 124803 (2022) – Published 13 December 2022
Magnetic excitation linking quasi-one-dimensional Chevrel-type selenide and arsenide superconductors
Logan M. Whitt, Tyra C. Douglas, Songxue Chi, Keith M. Taddei, and Jared M. Allred
Phys. Rev. Materials 6, 124804 (2022) – Published 20 December 2022

Other electronic materials

Stability and electronic properties of CsK2Sb surface facets
Richard Schier, Holger-Dietrich Saßnick, and Caterina Cocchi
Phys. Rev. Materials 6, 125001 (2022) – Published 5 December 2022
Structure, electronic properties, and energetics of oxygen vacancies in varying concentrations of SixGe1−xO2
Al-Moatasem El-Sayed, Markus Jech, Dominic Waldhör, Alexander Makarov, Mikhail I. Vexler, and Stanislav Tyaginov
Phys. Rev. Materials 6, 125002 (2022) – Published 5 December 2022
Chiral magnetism, lattice dynamics, and anomalous Hall conductivity in V3AuN antiferromagnetic antiperovskite
J. M. Duran-Pinilla, Aldo H. Romero, and A. C. Garcia-Castro
Phys. Rev. Materials 6, 125003 (2022) – Published 19 December 2022

Metamaterials, optical, photonic, and plasmonic materials

Fermi surface anisotropy in plasmonic metals increases the potential for efficient hot carrier extraction
Sushant Kumar, Christian Multunas, and Ravishankar Sundararaman
Phys. Rev. Materials 6, 125201 (2022) – Published 5 December 2022

Materials for energy harvesting, storage, and generation

Low lattice thermal conductivity in alkali metal based Heusler alloys
Utkarsh Singh, Sapna Singh, Mohd Zeeshan, Jeroen van den Brink, and Hem C. Kandpal
Phys. Rev. Materials 6, 125401 (2022) – Published 12 December 2022

Soft, molecular, and amorphous materials

Delayed elasticity of metallic glasses: Loading time and temperature dependences of the anelastic relaxation
Mehran Nabahat, Narges Amini, Eloi Pineda, Fan Yang, Jichao Qiao, Beatrice Ruta, and Daniel Crespo
Phys. Rev. Materials 6, 125601 (2022) – Published 9 December 2022
Tuning mechanical behavior of polymer materials via multi-arm crosslinked network architectures
Peter J. Hayes, Dominik Konkolewicz, and Mehdi B. Zanjani
Phys. Rev. Materials 6, 125602 (2022) – Published 14 December 2022
Structure and related properties of amorphous magnesium aluminosilicates
Lawrence V. D. Gammond, Rita Mendes Da Silva, Anita Zeidler, Hesameddin Mohammadi, Randall E. Youngman, Bruce G. Aitken, Pierre Florian, Daniel R. Neuville, Louis Hennet, Henry E. Fischer, Alex C. Hannon, Chris J. Benmore, and Philip S. Salmon
Phys. Rev. Materials 6, 125603 (2022) – Published 26 December 2022
Optimally rejuvenated model binary glasses
P. M. Derlet and R. Maaß
Phys. Rev. Materials 6, 125604 (2022) – Published 27 December 2022
Quantifying nanoscale charge density features of contact-charged surfaces with an FEM/KPFM-hybrid approach
Felix Pertl, Juan Carlos Sobarzo, Lubuna Shafeek, Tobias Cramer, and Scott Waitukaitis
Phys. Rev. Materials 6, 125605 (2022) – Published 29 December 2022

Nanomaterials

Molecular dynamics simulation of structural evolution in crystalline and amorphous CuZr alloys upon ultrafast laser irradiation
Djafar Iabbaden, Jonathan Amodeo, Claudio Fusco, Florence Garrelie, and Jean-Philippe Colombier
Phys. Rev. Materials 6, 126001 (2022) – Published 7 December 2022

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