Volume 4, Issue 4

April 2020

Browse Issues:

HIGHLIGHTED ARTICLES

FEATURED IN PHYSICS

EDITORS' SUGGESTION

RAPID COMMUNICATION

Switchable two-dimensional electron gas based on ferroelectric Ca: $SrTi O_{3}$

Julien Bréhin, Felix Trier, Luis M. Vicente-Arche, Pierre Hemme, Paul Noël, Maxen Cosset-Chéneau, Jean-Philippe Attané, Laurent Vila, Anke Sander, Yann Gallais, Alain Sacuto, Brahim Dkhil, Vincent Garcia, Stéphane Fusil, Agnès Barthélémy, Maximilien Cazayous, and Manuel Bibes

Phys. Rev. Materials 4, 041002(R) (2020) - Published 16 April, 2020

Ferroelectric materials possess electric dipoles adding up to a macroscopic polarization that is switchable by an electric field. Most ferroelectrics are insulators but some are wide bandgap semiconductors that by doping can be turned into metallic conductors. If doping is restricted to a thin slab near the material surface, the conducting region may harbor a two-dimensional electron gas (2DEG). The 2DEG can then be affected by ferroelectric polarization switching, and may even retain ferroelectric properties coexisting with the conducting behavior. The paper by Bréhin $e t$ $a l$ reports indications of this behavior in a 2DEG at the surface of ferroelectric Ca-SrTiO $_{3}$ .

EDITORS' SUGGESTION

First-order amorphous-to-amorphous phase transitions during lithiation of silicon thin films

Jinghui Miao, Baoming Wang, and Carl V. Thompson

Phys. Rev. Materials 4, 043608 (2020) - Published 30 April, 2020

First-order amorphous-to-amorphous phase transitions (polyamorphic transitions) are rarely observed and have been associated with pressure or temperature changes. The authors report first-order polyamorphic transitions caused by changes in composition. Observations were made during electrochemical insertion of lithium into amorphous silicon films under potentiostatic conditions. Kinetic analyses using the Johnson-Mehl-Avrami-Kolmogorov model applied to measurements of current as a function of time at different overpotentials indicate nucleation and growth of Li-rich phases throughout the volume of the films. This conclusion is supported by electron microscope images of twophase amorphous films with image contrast provided through preferential high energy electron sputtering of Li from Li-rich phases.

EDITORS' SUGGESTION

Magnetic-field-induced topological phase transition in Fe-doped ${(Bi, Sb)}_{2} S e_{3}$ heterostructures

Y. Satake, J. Shiogai, G. P. Mazur, S. Kimura, S. Awaji, K. Fujiwara, T. Nojima, K. Nomura, S. Souma, T. Sato, T. Dietl, and A. Tsukazaki

Phys. Rev. Materials 4, 044202 (2020) - Published 21 April, 2020

Although Bi $_{2}$ Se $_{3}$ is one of the most studied topological insulators, it has been difficult so far to observe the quantized anomalous Hall (QAH) effect due to the difficulty in the formation of a gapless chiral state in the gap formed by hybridization of surface states. The authors have developed the molecular beam epitaxial growth of paramagnetic Fe-doped Bi $_{2}$ Se $_{3}$ -based heterostructures with well-controlled thickness and Bi/Sb composition ratio. The application of a magnetic field resulted in the emergence of QAH conductance driven by a giant exchange splitting of topological states. The demonstration of finely tuned architectures of topological materials will accelerate in-depth understanding of the topological phase transitions.

EDITORS' SUGGESTION

Lattice instabilities and phonon thermal transport in TlBr

Tribhuwan Pandey, Lucas Lindsay, Brian C. Sales, and David S. Parker

Phys. Rev. Materials 4, 045403 (2020) - Published 13 April, 2020

This theoretical and experimental work finds the simple CsCl-structure TlBr to exhibit both high and extremely low thermal conductivity in different temperature ranges. First-principles calculations demonstrate that low room-temperature lattice thermal conductivity arises from avoided-crossing-related anharmonicity (only effective at appreciable temperatures) and multiple related lattice near instabilities. Evidence for ‘localized oscillator’ thermal transport, originally hypothesized by Einstein, is also presented.

EDITORS' SUGGESTION

Reversible thermal strain control of oxygen vacancy ordering in an epitaxial $L a_{0.5} S r_{0.5} Co O_{3 - δ}$ film

Sampo Inkinen, Lide Yao, and Sebastiaan van Dijken

Phys. Rev. Materials 4, 046002 (2020) - Published 28 April, 2020

Active control over the concentration or distribution of oxygen vacancies in transition metal oxides enables manipulation of their structural, magnetic, electronic transport, and optical properties. Topotactic oxidation or reduction reactions involving annealing under different ambient conditions are often used to manipulate the oxygen concentration. In this paper, using in situ scanning transmission electron microscopy, the authors demonstrate a reversible structural phase transition in perovskite La $_{0.5}$ Sr $_{0.5}$ CoO $_{3 - δ}$ films during heating/cooling cycles while the environment and oxygen vacancy concentration are kept constant. Switching between two oxygen-deficient structures is shown to arise from a local reordering of the oxygen vacancies by thermal strain imposed by the substrate. This approach presents new opportunities for switchable ionic devices.

RAPID COMMUNICATIONS

Structural and mechanical properties

RAPID COMMUNICATION

Neural network atomic potential to investigate the dislocation dynamics in bcc iron

Hideki Mori and Taisuke Ozaki

Phys. Rev. Materials 4, 040601(R) (2020) - Published 24 April, 2020

Two-dimensional materials

RAPID COMMUNICATION

Fermi liquid behavior and colossal magnetoresistance in layered $MoOC l_{2}$

Zhi Wang, Meng Huang, Jianzhou Zhao, Cong Chen, Haoliang Huang, Xiangqi Wang, Ping Liu, Jianlin Wang, Junxiang Xiang, Chao Feng, Zengming Zhang, Xudong Cui, Yalin Lu, Shengyuan A. Yang, and Bin Xiang

Phys. Rev. Materials 4, 041001(R) (2020) - Published 13 April, 2020

FEATURED IN PHYSICS

EDITORS' SUGGESTION

RAPID COMMUNICATION

Switchable two-dimensional electron gas based on ferroelectric Ca: $SrTi O_{3}$

Phys. Rev. Materials 4, 041002(R) (2020) - Published 16 April, 2020

Superconducting materials

RAPID COMMUNICATION

Superconductivity in the nonsymmorphic line-nodal compound ${CaSb}_{2}$

Atsutoshi Ikeda, Mayo Kawaguchi, Shun Koibuchi, Tatsuki Hashimoto, Takuto Kawakami, Shingo Yonezawa, Masatoshi Sato, and Yoshiteru Maeno

Phys. Rev. Materials 4, 041801(R) (2020) - Published 13 April, 2020

ARTICLES

Crystal growth, crystallization, and kinetics

Stabilization of phase-pure rhombohedral $HfZr O_{4}$ in pulsed laser deposited thin films

Laura Bégon-Lours, Martijn Mulder, Pavan Nukala, Sytze de Graaf, Yorick A. Birkhölzer, Bart Kooi, Beatriz Noheda, Gertjan Koster, and Guus Rijnders

Phys. Rev. Materials 4, 043401 (2020) - Published 7 April, 2020

Indentation-strain stiffening in tungsten nitrides: Mechanisms and implications

Cheng Lu and Changfeng Chen

Phys. Rev. Materials 4, 043402 (2020) - Published 10 April, 2020

In situ x-ray studies of the incipient ZnO atomic layer deposition on ${In}_{0.53} {Ga}_{0.47} As$

E. V. Skopin, L. Rapenne, J. L. Deschanvres, E. Blanquet, G. Ciatto, L. Pithan, D. D. Fong, M.-I. Richard, and H. Renevier

Phys. Rev. Materials 4, 043403 (2020) - Published 27 April, 2020

Structural and mechanical properties

Order-disorder versus displacive transitions in Jahn-Teller active layered materials

Maxwell D. Radin, John C. Thomas, and Anton Van der Ven

Phys. Rev. Materials 4, 043601 (2020) - Published 8 April, 2020

Continuous strengthening in nanotwinned high-entropy alloys enabled by martensite transformation

Jianwei Xiao and Chuang Deng

Phys. Rev. Materials 4, 043602 (2020) - Published 15 April, 2020

Interplanar stiffness in defect-free monocrystalline graphite

Koichi Kusakabe, Atsuki Wake, Akira Nagakubo, Kensuke Murashima, Mutsuaki Murakami, Kanta Adachi, and Hirotsugu Ogi

Phys. Rev. Materials 4, 043603 (2020) - Published 20 April, 2020

Characterization of the Al-Ga solid-liquid interface using classical and ab initio molecular dynamics simulation

Jesse L. Kern, Peter R. Barry, and Brian B. Laird

Phys. Rev. Materials 4, 043604 (2020) - Published 24 April, 2020

In situ measurement and modelling of the growth and length scale of twins in $α$ -uranium

Nicolò Grilli, Edmund Tarleton, Philip D. Edmondson, Maxim N. Gussev, and Alan C. F. Cocks

Phys. Rev. Materials 4, 043605 (2020) - Published 27 April, 2020

Backfolded acoustic phonons as ultrasonic probes in metal-oxide superlattices

F. Lyzwa, A. Chan, J. Khmaladze, K. Fürsich, B. Keimer, C. Bernhard, M. Minola, and B. P. P. Mallett

Phys. Rev. Materials 4, 043606 (2020) - Published 28 April, 2020

Symmetry breaking and circular photogalvanic effect in epitaxial ${Cd}_{x} {Hg}_{1 - x} Te$ films

S. Hubmann, G. V. Budkin, M. Otteneder, D. But, D. Sacré, I. Yahniuk, K. Diendorfer, V. V. Bel'kov, D. A. Kozlov, N. N. Mikhailov, S. A. Dvoretsky, V. S. Varavin, V. G. Remesnik, S. A. Tarasenko, W. Knap, and S. D. Ganichev

Phys. Rev. Materials 4, 043607 (2020) - Published 28 April, 2020

EDITORS' SUGGESTION

First-order amorphous-to-amorphous phase transitions during lithiation of silicon thin films

Jinghui Miao, Baoming Wang, and Carl V. Thompson

Phys. Rev. Materials 4, 043608 (2020) - Published 30 April, 2020

Development of new methods for materials

Systematic development of ab initio tight-binding models for hexagonal metals

J. Smutna, R. M. Fogarty, M. R. Wenman, and A. P. Horsfield

Phys. Rev. Materials 4, 043801 (2020) - Published 10 April, 2020

Phonon-assisted diffusion in bcc phase of titanium and zirconium from first principles

Sara Kadkhodaei and Ali Davariashtiyani

Phys. Rev. Materials 4, 043802 (2020) - Published 13 April, 2020

Two-dimensional materials

Photoluminescence dynamics in few-layer InSe

Tommaso Venanzi, Himani Arora, Stephan Winnerl, Alexej Pashkin, Phanish Chava, Amalia Patanè, Zakhar D. Kovalyuk, Zakhar R. Kudrynskyi, Kenji Watanabe, Takashi Taniguchi, Artur Erbe, Manfred Helm, and Harald Schneider

Phys. Rev. Materials 4, 044001 (2020) - Published 14 April, 2020

Structure-strength relations of distinct MoN phases from first-principles calculations

Cheng Lu and Changfeng Chen

Phys. Rev. Materials 4, 044002 (2020) - Published 15 April, 2020

Working principles of doping-well structures for high-mobility two-dimensional electron systems

Yoon Jang Chung, K. A. Villegas Rosales, K. W. Baldwin, K. W. West, M. Shayegan, and L. N. Pfeiffer

Phys. Rev. Materials 4, 044003 (2020) - Published 17 April, 2020

Topological and Dirac materials

Hall effect evidence for an interplay between electronic correlations and Na order induced electronic bands topology in $N a_{x} Co O_{2}$

I. F. Gilmutdinov, I. R. Mukhamedshin, and H. Alloul

Phys. Rev. Materials 4, 044201 (2020) - Published 16 April, 2020

EDITORS' SUGGESTION

Magnetic-field-induced topological phase transition in Fe-doped ${(Bi, Sb)}_{2} S e_{3}$ heterostructures

Y. Satake, J. Shiogai, G. P. Mazur, S. Kimura, S. Awaji, K. Fujiwara, T. Nojima, K. Nomura, S. Souma, T. Sato, T. Dietl, and A. Tsukazaki

Phys. Rev. Materials 4, 044202 (2020) - Published 21 April, 2020

Pressure effect on the anomalous Hall effect of ferromagnetic Weyl semimetal $C o_{3} S n_{2} S_{2}$

Z. Y. Liu, T. Zhang, S. X. Xu, P. T. Yang, Q. Wang, H. C. Lei, Y. Sui, Y. Uwatoko, B. S. Wang, H. M. Weng, J. P. Sun, and J.-G. Cheng

Phys. Rev. Materials 4, 044203 (2020) - Published 28 April, 2020

Magnetic, ferroelectric, and multiferroic materials

Strong antiferromagnetic interaction owing to a large trigonal distortion in the spin-orbit-coupled honeycomb lattice iridate $CdIr O_{3}$

Yuya Haraguchi and Hiroko Aruga Katori

Phys. Rev. Materials 4, 044401 (2020) - Published 3 April, 2020

Interface-related magnetic and vibrational properties in Fe/MgO heterostructures from nuclear resonant spectroscopy and first-principles calculations

Benedikt Eggert, Markus E. Gruner, Katharina Ollefs, Ellen Schuster, Nico Rothenbach, Michael Y. Hu, Jiyong Zhao, Thomas S. Toellner, Wolfgang Sturhahn, Rossitza Pentcheva, Beatriz Roldan Cuenya, Esen E. Alp, Heiko Wende, and Werner Keune

Phys. Rev. Materials 4, 044402 (2020) - Published 6 April, 2020

Frustration, ring exchange, and the absence of long-range order in ${EtMe}_{3} Sb {[Pd {(dmit)}_{2}]}_{2}$ : From first principles to many-body theory

E. P. Kenny, G. David, N. Ferré, A. C. Jacko, and B. J. Powell

Phys. Rev. Materials 4, 044403 (2020) - Published 7 April, 2020

In operando adjustable orbital polarization in $LaNi O_{3}$ thin films

Hari Babu Vasili, David Pesquera, Manuel Valvidares, Pierluigi Gargiani, Eric Pellegrin, Federica Bondino, Elena Magnano, Alessandro Barla, and Josep Fontcuberta

Phys. Rev. Materials 4, 044404 (2020) - Published 7 April, 2020

Evolution of noncollinear magnetism in magnetocaloric MnPtGa

Joya A. Cooley, Joshua D. Bocarsly, Emily C. Schueller, Emily E. Levin, Efrain E. Rodriguez, Ashfia Huq, Saul H. Lapidus, Stephen D. Wilson, and Ram Seshadri

Phys. Rev. Materials 4, 044405 (2020) - Published 13 April, 2020

First-principles study of site preferences for Fe in $Sm {(CoFeCuZr)}_{z}$ permanent magnets

Bingjie Liu, Hui Wang, Cheng Xu, Xiaopeng Liu, Qianfan Zhang, Tianli Zhang, Plamen Stamenov, John Michael David Coey, and Chengbao Jiang

Phys. Rev. Materials 4, 044406 (2020) - Published 22 April, 2020

Room-temperature magnetization reversal and magnetocaloric switching in Fe substituted $GdMn O_{3}$

Arnab Pal, Manu Mohan, Adyam Venimadhav, and Pattukkannu Murugavel

Phys. Rev. Materials 4, 044407 (2020) - Published 24 April, 2020

Semiconducting materials

Theoretical exploration of mixed-anion antiperovskite semiconductors $M_{3} X N (M = Mg, Ca, Sr, Ba; X = P, As, Sb, Bi)$

Yasuhide Mochizuki, Ha-Jun Sung, Akira Takahashi, Yu Kumagai, and Fumiyasu Oba

Phys. Rev. Materials 4, 044601 (2020) - Published 13 April, 2020

Experimental observation of high intrinsic thermal conductivity of AlN

Zhe Cheng, Yee Rui Koh, Abdullah Mamun, Jingjing Shi, Tingyu Bai, Kenny Huynh, Luke Yates, Zeyu Liu, Ruiyang Li, Eungkyu Lee, Michael E. Liao, Yekan Wang, Hsuan Ming Yu, Maki Kushimoto, Tengfei Luo, Mark S. Goorsky, Patrick E. Hopkins, Hiroshi Amano, Asif Khan, and Samuel Graham

Phys. Rev. Materials 4, 044602 (2020) - Published 23 April, 2020

Nonlocal effect of excited carriers on the bond strength of carbazole-based OLED host materials

Seunghyun Lee, Noejung Park, and Junhyeok Bang

Phys. Rev. Materials 4, 044603 (2020) - Published 23 April, 2020

Approaching isotropic transfer integrals in crystalline organic semiconductors

Qijing Wang, Emilio J. Juarez-Perez, Sai Jiang, Mingfei Xiao, Jun Qian, Eun-Sol Shin, Yong-Young Noh, Yabing Qi, Yi Shi, and Yun Li

Phys. Rev. Materials 4, 044604 (2020) - Published 27 April, 2020

Two-valence band electron and heat transport in monocrystalline PbTe-CdTe solid solutions with Cd content up to 10 atomic percent

M. Szot, P. Pfeffer, K. Dybko, A. Szczerbakow, L. Kowalczyk, P. Dziawa, R. Minikayev, T. Zajarniuk, K. Piotrowski, M. U. Gutowska, A. Szewczyk, T. Story, and W. Zawadzki

Phys. Rev. Materials 4, 044605 (2020) - Published 29 April, 2020

Surface reconstruction and band alignment of nonmetallic $A (II) B (IV) O_{3}$ perovskites

Ha-Jun Sung, Yasuhide Mochizuki, and Fumiyasu Oba

Phys. Rev. Materials 4, 044606 (2020) - Published 30 April, 2020

Superconducting materials

In-plane ordering of oxygen vacancies in a high- $T_{c}$ cuprate superconductor with compressed Cu-O octahedrons: An automated cluster expansion study

Yunhao Li, Shiqiao Du, Zheng-Yu Weng, and Zheng Liu

Phys. Rev. Materials 4, 044801 (2020) - Published 14 April, 2020

Other electronic materials

Comparative ab initio study of the structural, electronic, magnetic, and dynamical properties of ${LiOsO}_{3}$ and ${NaOsO}_{3}$

Peitao Liu, Jiangang He, Bongjae Kim, Sergii Khmelevskyi, Alessandro Toschi, Georg Kresse, and Cesare Franchini

Phys. Rev. Materials 4, 045001 (2020) - Published 15 April, 2020

Density functional simulations of pressurized Mg-Zn and Al-Zn alloys

Mohammad Alidoust, David Kleiven, and Jaakko Akola

Phys. Rev. Materials 4, 045002 (2020) - Published 20 April, 2020

Structure of the (110) $L n Sc O_{3} (L n = Gd, Tb, Dy)$ surfaces

Zachary R. Mansley, Christopher A. Mizzi, Pratik Koirala, Jianguo Wen, and Laurence D. Marks

Phys. Rev. Materials 4, 045003 (2020) - Published 27 April, 2020

Materials for energy harvesting, storage, and generation

Evaluating optimal $U$ for $3 d$ transition-metal oxides within the SCAN+ $U$ framework

Olivia Y. Long, Gopalakrishnan Sai Gautam, and Emily A. Carter

Phys. Rev. Materials 4, 045401 (2020) - Published 8 April, 2020

First-principles study on material properties and stability of inorganic halide perovskite solid solutions $CsPb {(I_{1 - x} {Br}_{x})}_{3}$

Chol-Jun Yu, Un-Hyok Ko, Suk-Gyong Hwang, Yun-Sim Kim, Un-Gi Jong, Yun-Hyok Kye, and Chol-Hyok Ri

Phys. Rev. Materials 4, 045402 (2020) - Published 13 April, 2020

EDITORS' SUGGESTION

Computational and experimental (re)investigation of the structural and electrolyte properties of ${Li}_{4} P_{2} S_{6}, {Na}_{4} P_{2} S_{6}$ , and ${Li}_{2} {Na}_{2} P_{2} S_{6}$

Yan Li, Zachary D. Hood, and N. A. W. Holzwarth

Phys. Rev. Materials 4, 045406 (2020) - Published 21 April, 2020

Soft, molecular, and amorphous materials

Tuning the rheological behavior of colloidal gels through competing interactions

J. Ruiz-Franco, F. Camerin, N. Gnan, and E. Zaccarelli

Phys. Rev. Materials 4, 045601 (2020) - Published 20 April, 2020

Effect of local structural disorder on lithium diffusion behavior in amorphous silicon

Wenwen Li and Yasunobu Ando

Phys. Rev. Materials 4, 045602 (2020) - Published 28 April, 2020

Materials for catalysis and electrochemistry

Water as a catalyst for ion transport across the electrical double layer in ionic liquids

Srđan Begić, Fangfang Chen, Erlendur Jónsson, and Maria Forsyth

Phys. Rev. Materials 4, 045801 (2020) - Published 1 April, 2020

Diffusion of sodium ions in amorphous $N a_{2} S i_{2} O_{5}$ : Quasielastic neutron scattering and ab initio molecular dynamics simulations

Mayanak K. Gupta, Sanjay K. Mishra, Ranjan Mittal, Baltej Singh, Prabhatasree Goel, Sanghamitra Mukhopadhyay, Rakesh Shukla, Srungarpu N. Achary, Avesh K. Tyagi, and Samrath L. Chaplot

Phys. Rev. Materials 4, 045802 (2020) - Published 8 April, 2020

Role of magnetism on transition metal oxide surfaces in vacuum and solvent

V. S. Chaitanya Kolluru and Richard G. Hennig

Phys. Rev. Materials 4, 045803 (2020) - Published 16 April, 2020

Nanomaterials

Swift heavy ion irradiation of GaSb: From ion tracks to nanoporous networks

C. Notthoff, S. Jordan, A. Hadley, P. Mota-Santiago, R. G. Elliman, W. Lei, N. Kirby, and P. Kluth

Phys. Rev. Materials 4, 046001 (2020) - Published 10 April, 2020

EDITORS' SUGGESTION

Reversible thermal strain control of oxygen vacancy ordering in an epitaxial $L a_{0.5} S r_{0.5} Co O_{3 - δ}$ film

Sampo Inkinen, Lide Yao, and Sebastiaan van Dijken

Phys. Rev. Materials 4, 046002 (2020) - Published 28 April, 2020