Volume 7, Issue 3

March 2023

Browse Issues:

HIGHLIGHTED ARTICLES

EDITORS' SUGGESTION

Stacking domain morphology in epitaxial graphene on silicon carbide

Tobias A. de Jong, Luuk Visser, Johannes Jobst, Ruud M. Tromp, and Sense Jan van der Molen

Phys. Rev. Materials 7, 034001 (2023) - Published 17 March, 2023

Despite being considered homogeneous and uniform, graphene grown on silicon carbide has been found to contain a vast network of stacking domains and dislocations. These are formed due to the strain field between graphene and the substrate, and their spatial orientations and shapes arise from minute variations therein. In this work, the authors used low-energy electron microscopy and moire pattern analysis to map out local variations in orientation, strain, and dislocation distribution. This creates a better understanding of the growth process of graphene on silicon carbide (and similar two-dimensional materials) to enable their use in practical applications.

LETTERS

Development of new methods for materials

LETTER

Quantum paraelectricity and structural phase transitions in strontium titanate beyond density functional theory

Carla Verdi, Luigi Ranalli, Cesare Franchini, and Georg Kresse

Phys. Rev. Materials 7, L030801 (2023) - Published 16 March, 2023

Soft, molecular, and amorphous materials

LETTER

Bridging necking and shear-banding mediated tensile failure in glasses

David Richard, Ethen Thomas Lund, Jan Schroers, and Eran Bouchbinder

Phys. Rev. Materials 7, L032601 (2023) - Published 10 March, 2023

ARTICLES

Crystal growth, crystallization, and kinetics

Magnetic and electrical properties of a heavy-fermion compound ${EuRh}_{2} {Al}_{8}$

Miao He, Xitong Xu, Ziyang Wu, Chao Dong, Yonglai Liu, Qingyi Hou, Shiming Zhou, Yuyan Han, Junfeng Wang, and Zhe Qu

Phys. Rev. Materials 7, 033401 (2023) - Published 13 March, 2023

Crystal growth, exfoliation, and magnetic properties of quaternary quasi-two-dimensional ${CuCrP}_{2} S_{6}$

S. Selter, K. K. Bestha, P. Bhattacharyya, B. Özer, Y. Shemerliuk, M. Roslova, E. Vinokurova, L. T. Corredor, L. Veyrat, A. U. B. Wolter, L. Hozoi, B. Büchner, and S. Aswartham

Phys. Rev. Materials 7, 033402 (2023) - Published 20 March, 2023

Li self-diffusion and ion conductivity in congruent ${LiNbO}_{3}$ and ${LiTaO}_{3}$ single crystals

Claudia Kofahl, Lars Dörrer, Brendan Muscutt, Simone Sanna, Stepan Hurskyy, Uliana Yakhnevych, Yuriy Suhak, Holger Fritze, Steffen Ganschow, and Harald Schmidt

Phys. Rev. Materials 7, 033403 (2023) - Published 23 March, 2023

Structural transition at the subsurface of few-layer Bi(110) film during the growth

Tetsuroh Shirasawa, Wolfgang Voegeli, Etsuo Arakawa, Ryota Ushioda, Kan Nakatsuji, and Hiroyuki Hirayama

Phys. Rev. Materials 7, 033404 (2023) - Published 24 March, 2023

Crystal growth, characterization and electronic band structure of TiSeS

Y. Shemerliuk, A. Kuibarov, O. Feia, M. Behnami, H. Reichlova, O. Suvorov, S. Selter, D. V. Efremov, S. Borisenko, B. Büchner, and S. Aswartham

Phys. Rev. Materials 7, 033405 (2023) - Published 31 March, 2023

Structural and mechanical properties

Logarithmic versus Andrade's transient creep: Role of elastic stress redistribution

Jérôme Weiss and David Amitrano

Phys. Rev. Materials 7, 033601 (2023) - Published 13 March, 2023

History effects in the creep of a disordered brittle material

Tero Mäkinen, Jérôme Weiss, David Amitrano, and Philippe Roux

Phys. Rev. Materials 7, 033602 (2023) - Published 16 March, 2023

Cd implantation in $α − {MoO}_{3}$ : An atomic scale study

Adeleh Mokhles Gerami, Juliana Heiniger-Schell, E. Lora da Silva, Messias S. Costa, Cleidilane S. Costa, João G. Monteiro, José J. Pires, Daniela R. Pereira, Carlos Díaz-Guerra, Artur W. Carbonari, Katharina Lorenz, and João G. Correia

Phys. Rev. Materials 7, 033603 (2023) - Published 16 March, 2023

Statistical properties of fractal type dislocation cell structures

Sándor Lipcsei, Szilvia Kalácska, Péter Dusán Ispánovity, János L. Lábár, Zoltán Dankházi, and István Groma

Phys. Rev. Materials 7, 033604 (2023) - Published 30 March, 2023

Influence of short-range order on diffusion in multiprincipal element alloys from long-time atomistic simulations

Biao Xu, Shihua Ma, Shasha Huang, Jun Zhang, Yaoxu Xiong, Haijun Fu, Xuepeng Xiang, and Shijun Zhao

Phys. Rev. Materials 7, 033605 (2023) - Published 30 March, 2023

Disorder-order transition in multiprincipal element alloy: A free energy perspective

Xiao-Shi Wang and Yun-Jiang Wang

Phys. Rev. Materials 7, 033606 (2023) - Published 31 March, 2023

Development of new methods for materials

Disentangling photoexcitation and photoluminescence processes in defective MgO

Christian Vorwerk and Giulia Galli

Phys. Rev. Materials 7, 033801 (2023) - Published 28 March, 2023

Machine-learning accelerated annealing with fitting-search style for multicomponent alloy structure predictions

Chuannan Li, Hanpu Liang, Yifeng Duan, and Zijing Lin

Phys. Rev. Materials 7, 033802 (2023) - Published 28 March, 2023

On-the-fly machine learning potential accelerated accurate prediction of lattice thermal conductivity of metastable silicon crystals

Chunfeng Cui, Yuwen Zhang, Tao Ouyang, Mingxing Chen, Chao Tang, Qiao Chen, Chaoyu He, Jin Li, and Jianxin Zhong

Phys. Rev. Materials 7, 033803 (2023) - Published 29 March, 2023

Amplitude expansion of the phase-field crystal model for complex crystal structures

Marcello De Donno, Lucas Benoit–Maréchal, and Marco Salvalaglio

Phys. Rev. Materials 7, 033804 (2023) - Published 29 March, 2023

Two-dimensional materials

EDITORS' SUGGESTION

Stacking domain morphology in epitaxial graphene on silicon carbide

Tobias A. de Jong, Luuk Visser, Johannes Jobst, Ruud M. Tromp, and Sense Jan van der Molen

Phys. Rev. Materials 7, 034001 (2023) - Published 17 March, 2023

First-principles investigation on the structural, vibrational, mechanical, electronic, and optical properties of $M {Si}_{2} Z_{4}$ ( $M$ : Pd and Pt, $Z$ : N and P) monolayers

Mirali Jahangirzadeh Varjovi, Mehmet Emin Kilic, and Engin Durgun

Phys. Rev. Materials 7, 034002 (2023) - Published 20 March, 2023

Step-guided epitaxial growth of blue phosphorene on vicinal Ag(111)

Chao He, Shaogang Xu, Xingxing Dong, Changchun He, Xiangting Hu, Guang Liu, and Hu Xu

Phys. Rev. Materials 7, 034003 (2023) - Published 27 March, 2023

Prediction of two stable freestanding $β_{12}$ borophanes: Structure, electronic properties, and superconductivity

Ying-Jie Chen, Hong-Yan Lu, Feng-Lan Shao, and Ping Zhang

Phys. Rev. Materials 7, 034004 (2023) - Published 27 March, 2023

Topological and Dirac materials

Surface state mediated ferromagnetism in ${Mn}_{0.14} {Bi}_{1.86} {Te}_{3}$ thin films

Ryan Van Haren, Toyanath Joshi, and David Lederman

Phys. Rev. Materials 7, 034201 (2023) - Published 23 March, 2023

Stripe helical magnetism and two regimes of anomalous Hall effect in NdAlGe

Hung-Yu Yang, Jonathan Gaudet, Rahul Verma, Santu Baidya, Faranak Bahrami, Xiaohan Yao, Cheng-Yi Huang, Lisa DeBeer-Schmitt, Adam A. Aczel, Guangyong Xu, Hsin Lin, Arun Bansil, Bahadur Singh, and Fazel Tafti

Phys. Rev. Materials 7, 034202 (2023) - Published 27 March, 2023

Magnetic, ferroelectric, and multiferroic materials

Quasi-one-dimensional Ising-like antiferromagnetism in the rare-earth perovskite oxide ${TbScO}_{3}$

Nan Zhao, Jieming Sheng, Jinchen Wang, Han Ge, Tiantian Li, Jiong Yang, Shanmin Wang, Ping Miao, Hua He, Xin Tong, Wei Bao, Er-Jia Guo, Richard Mole, Dehong Yu, Andrey A. Podlesnyak, and Liusuo Wu

Phys. Rev. Materials 7, 034401 (2023) - Published 2 March, 2023

Magnetism and $T − x$ phase diagrams of Na- and Ag-substituted ${EuCd}_{2} {As}_{2}$

Brinda Kuthanazhi, Kamal R. Joshi, Sunil Ghimire, Erik Timmons, Lin-Lin Wang, Elena Gati, Li Xiang, Ruslan Prozorov, Sergey L. Bud'ko, and Paul C. Canfield

Phys. Rev. Materials 7, 034402 (2023) - Published 3 March, 2023

Competition between exchange and magnetostatic energies in domain pattern transfer from ${BaTiO}_{3}$ (111) to a Ni thin film

Kévin J. A. Franke, Colin Ophus, Andreas K. Schmid, and Christopher H. Marrows

Phys. Rev. Materials 7, 034403 (2023) - Published 9 March, 2023

Spin currents with unusual spin orientations in noncollinear Weyl antiferromagnetic ${Mn}_{3} Sn$

Xinhao Wang, Mohammad Tomal Hossain, T. R. Thapaliya, Durga Khadka, Sergi Lendinez, Hang Chen, Matthew F. Doty, M. Benjamin Jungfleisch, S. X. Huang, Xin Fan, and John Q. Xiao

Phys. Rev. Materials 7, 034404 (2023) - Published 10 March, 2023

Canonical spin glass and cluster glass behavior in the polymorphs of $LiFeSn O_{4}$

Souvik Banerjee, Debendra Prasad Panda, Premakumar Yanda, and A. Sundaresan

Phys. Rev. Materials 7, 034405 (2023) - Published 16 March, 2023

Stroboscopic in situ neutron diffraction approach to elucidate the kinetics of strain mechanisms in ferroelectric materials

Manuel Hinterstein, Lucas Lemos da Silva, Gaurav Vajpayee, Kai-Yang Lee, and Andrew Studer

Phys. Rev. Materials 7, 034406 (2023) - Published 16 March, 2023

Fe and Cr co-intercalation in $2 H-Nb S_{2}$ single crystals for realization of perpendicular magnetic anisotropy and large anomalous Hall effect

Shuang Pan, Li Tang, Yuqing Bai, Jiaxuan Tang, Zhishuo Zhang, Bin Chen, Yong Guo, Jie Zhu, Guizhou Xu, and Feng Xu

Phys. Rev. Materials 7, 034407 (2023) - Published 17 March, 2023

Thickness dependence of magnetic properties of Ir/FeV-based systems

Djoudi Ourdani, Yves Roussigné, Salim Mourad Chérif, Mihai Sebastian Gabor, and Mohamed Belmeguenai

Phys. Rev. Materials 7, 034408 (2023) - Published 20 March, 2023

Magnetic ordering and magnetocrystalline anisotropy in epitaxial ${Mn}_{2} GaC$ MAX phase thin films

Einar B. Thorsteinsson, Arni S. Ingason, and Fridrik Magnus

Phys. Rev. Materials 7, 034409 (2023) - Published 23 March, 2023

Magnetic iron-cobalt silicides discovered using machine-learning

Timothy Liao, Weiyi Xia, Masahiro Sakurai, Renhai Wang, Chao Zhang, Huaijun Sun, Kai-Ming Ho, Cai-Zhuang Wang, and James R. Chelikowsky

Phys. Rev. Materials 7, 034410 (2023) - Published 29 March, 2023

Semiconducting materials

Profiling the off-center atomic displacements in CuCl at finite temperatures with a deep-learning potential

Zhi-Hao Wang, Xuan-Yan Chen, Zhen Zhang, Xie Zhang, and Su-Huai Wei

Phys. Rev. Materials 7, 034601 (2023) - Published 9 March, 2023

Diffusion of oxygen vacancies formed at the anatase (101) surface: An activation-relaxation technique study

Jeffrey Roshan De Lile and Normand Mousseau

Phys. Rev. Materials 7, 034602 (2023) - Published 16 March, 2023

Revealing contributions to conduction from transport within ordered and disordered regions in highly doped conjugated polymers through analysis of temperature-dependent Hall measurements

William A. Wood, Ian E. Jacobs, Leszek J. Spalek, Yuxuan Huang, Chen Chen, Xinglong Ren, and Henning Sirringhaus

Phys. Rev. Materials 7, 034603 (2023) - Published 30 March, 2023

Superconducting materials

Surface superconductivity emerged from disordered surface in undoped ${BaFe}_{2} {As}_{2}$

Quanxin Hu, Fazhi Yang, Xingyu Wang, Jiajun Li, Wenyao Liu, Lingyuan Kong, Shiliang Li, Lei Yan, Jinpeng Xu, and Hong Ding

Phys. Rev. Materials 7, 034801 (2023) - Published 29 March, 2023

Superconductivity by alloying the topological insulator ${SnBi}_{2} {Te}_{4}$

Michael A. McGuire, Heda Zhang, Andrew F. May, Satoshi Okamoto, Robert G. Moore, Xiaoping Wang, Clément Girod, Sean M. Thomas, Filip Ronning, and Jiaqiang Yan

Phys. Rev. Materials 7, 034802 (2023) - Published 31 March, 2023

Other electronic materials

Signatures of orbital selective Mott state in doped ${Sr}_{3} {Ru}_{2} O_{7}$

Buddhadeb Debnath, Anirban Das, Priyo Adhikary, and Shantanu Mukherjee

Phys. Rev. Materials 7, 035001 (2023) - Published 22 March, 2023

Metamaterials, optical, photonic, and plasmonic materials

High-rectification near-field radiative thermal diode using Weyl semimetals

Yang Hu, Haotuo Liu, Bing Yang, Kezhang Shi, Mauro Antezza, Xiaohu Wu, and Yasong Sun

Phys. Rev. Materials 7, 035201 (2023) - Published 13 March, 2023

Materials for energy harvesting, storage, and generation

Nanomaterials

Model reduction for molecular diffusion in nanoporous media

Gastón A. González, Ruben A. Fritz, Yamil J. Colón, and Felipe Herrera

Phys. Rev. Materials 7, 036001 (2023) - Published 21 March, 2023

Formation of parallel and perpendicular ripples on solid amorphous surfaces by ion beam-driven atomic flow on and under the surface

Alvaro Lopez-Cazalilla, Kai Nordlund, and Flyura Djurabekova

Phys. Rev. Materials 7, 036002 (2023) - Published 30 March, 2023