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HIGHLIGHTED ARTICLES

Electrical switching of valley polarization in monolayer semiconductors

Lizhong Li, Shengwei Jiang, Zefang Wang, Kenji Watanabe, Takashi Taniguchi, Jie Shan, and Kin Fai Mak

Phys. Rev. Materials 4, 104005 (2020) - Published 13 October, 2020

Electrical switching of valley polarization in 2D semiconductors could enable fast and energy-efficient optoelectronics devices that communicate with photon helicity but its realization remains challenging because the electronic valley degree of freedom does not directly couple to electric fields. In this paper, by proximity coupling 2D semiconductors to 2D magnets, and by electrically switching the spins of the 2D magnet, reversible electrical switching of the valley polarization has been demonstrated. This study also paves the path for high-speed valleytronics devices.

Property and cation valence engineering in entropy-stabilized oxide thin films

George N. Kotsonis, Peter B. Meisenheimer, Leixin Miao, Joseph Roth, Baomin Wang, Padraic Shafer, Roman Engel-Herbert, Nasim Alem, John T. Heron, Christina M. Rost, and Jon-Paul Maria

Phys. Rev. Materials 4, 100401(R) (2020) - Published 19 October, 2020

We present data for epitaxial thin films of the prototypical rocksalt entropy-stabilized oxide (ESO) Mg0.2Ni0.2Co0.2Cu0.2Zn0.2O that reveals a remarkably large property dependence on growth temperature. Variable net Co valence strongly influences the unit cell volume, optical response, and magnetic response. ESO solid solutions are well known for their compositional flexibility and corresponding property tunability. However, the present observations illustrate that even at constant metallic element proportions, synthesis conditions alone can strongly influence the physical properties of ESO crystals without significant changes in microstructure.

Spin-orbit-proximitized ferromagnetic metal by monolayer transition metal dichalcogenide: Atlas of spectral functions, spin textures, and spin-orbit torques in Co/MoSe2, Co/WSe2, and Co/TaSe2 heterostructures

Kapildeb Dolui and Branislav K. Nikolić

Phys. Rev. Materials 4, 104007 (2020) - Published 19 October, 2020

The authors demonstrate how to screen computationally heterostructures of ultrathin layers of conventional ferromagnetic metals and monolayers of transition-metal dichalcogenides, using first-principles Green functions and first-principles quantum transport techniques in order to find an optimal manifestation of the spin-orbit proximity effect within a ferromagnetic metal and the corresponding spin-orbit torque on its magnetization once the current is passed through the heterostructures. This approach identifies the Co/WSe2 bilayer as a potentially optimal heterostructure for spintronic applications based on effects that require large current-driven nonequilibrium spin density.

Controlling phonon lifetimes via sublattice disordering in AgBiSe2

J. L. Niedziela, D. Bansal, J. Ding, T. Lanigan-Atkins, C. Li, A. F. May, H. Wang, J. Y. Y. Lin, D. L. Abernathy, G. Ehlers, A. Huq, D. Parshall, J. W. Lynn, and O. Delaire

Phys. Rev. Materials 4, 105402 (2020) - Published 12 October, 2020

Due to their ability to convert thermal gradients into useful electrical energy, thermoelectrics are promising for energy efficiency uses. Thermoelectric conversion rates are driven by the ratio of electrical to thermal conductivity in the material, thus substantial research focuses on balancing these competing mechanisms. Here the authors use state-of-the-art neutron scattering and computational modeling to investigate the temperature dependence of the crystal structure, phonon dispersions, and phonon lifetimes to provide new microscopic insight to thermal conductivity suppression in AgBiSe2, a thermoelectric exhibiting a cationic sublattice disordering at high temperature. These combined efforts enable the authors to definitively describe contributions to the thermal conductivity arising from a step-like change in phonon scattering rates directly originating from the combined effects of mass and force-constant disorder due to cation disorder at the structural phase transition. This study highlights the potential of tunable microstructures to control phonon scattering rates in real materials, a necessary component for rational material design, particularly for thermoelectrics.

RAPID COMMUNICATIONS

Crystal growth, crystallization, and kinetics

Property and cation valence engineering in entropy-stabilized oxide thin films

George N. Kotsonis, Peter B. Meisenheimer, Leixin Miao, Joseph Roth, Baomin Wang, Padraic Shafer, Roman Engel-Herbert, Nasim Alem, John T. Heron, Christina M. Rost, and Jon-Paul Maria

Phys. Rev. Materials 4, 100401(R) (2020) - Published 19 October, 2020

We present data for epitaxial thin films of the prototypical rocksalt entropy-stabilized oxide (ESO) Mg0.2Ni0.2Co0.2Cu0.2Zn0.2O that reveals a remarkably large property dependence on growth temperature. Variable net Co valence strongly influences the unit cell volume, optical response, and magnetic response. ESO solid solutions are well known for their compositional flexibility and corresponding property tunability. However, the present observations illustrate that even at constant metallic element proportions, synthesis conditions alone can strongly influence the physical properties of ESO crystals without significant changes in microstructure.

Soft, molecular, and amorphous materials

Yielding and bifurcated aging in nanofibrillar networks

Ryan Poling-Skutvik, Eoin McEvoy, Vivek Shenoy, and Chinedum O. Osuji

Phys. Rev. Materials 4, 102601(R) (2020) - Published 28 October, 2020

ARTICLES

Crystal growth, crystallization, and kinetics

Effect of transport mechanism on the coarsening of bicontinuous structures: A comparison between bulk and surface diffusion

W. Beck Andrews, Kate L. M. Elder, Peter W. Voorhees, and Katsuyo Thornton

Phys. Rev. Materials 4, 103401 (2020) - Published 14 October, 2020

Growth and composition of an ultrathin Ba-Ti-O quasicrystal film and its crystalline approximant on Pt(111)

Junji Yuhara, Keito Horiba, Ryoichi Sugiura, Xu Li, and Tomoaki Yamada

Phys. Rev. Materials 4, 103402 (2020) - Published 16 October, 2020

Reduction of threading dislocation density beyond the saturation limit by optimized reverse grading

Oliver Skibitzki, Marvin H. Zoellner, Fabrizio Rovaris, Markus Andreas Schubert, Yuji Yamamoto, Luca Persichetti, Luciana Di Gaspare, Monica De Seta, Riccardo Gatti, Francesco Montalenti, and Giovanni Capellini

Phys. Rev. Materials 4, 103403 (2020) - Published 20 October, 2020

Structural and mechanical properties

Machine learning for metallurgy I. A neural-network potential for Al-Cu

Daniel Marchand, Abhinav Jain, Albert Glensk, and W. A. Curtin

Phys. Rev. Materials 4, 103601 (2020) - Published 1 October, 2020

Machine learning for metallurgy II. A neural-network potential for magnesium

Markus Stricker, Binglun Yin, Eleanor Mak, and W. A. Curtin

Phys. Rev. Materials 4, 103602 (2020) - Published 1 October, 2020

Atomic scale simulations for the diffusion-assisted crossing of dislocation anchored by vacancy clusters

Marie Landeiro Dos Reis, Laurent Proville, Mihai-Cosmin Marinica, and Maxime Sauzay

Phys. Rev. Materials 4, 103603 (2020) - Published 2 October, 2020

Ab initio study of chemical disorder as an effective stabilizing mechanism of bcc-based TiAl(+Mo)

Neda Abdoshahi, Petra Spoerk-Erdely, Martin Friák, Svea Mayer, Mojmír Šob, and David Holec

Phys. Rev. Materials 4, 103604 (2020) - Published 2 October, 2020

Interfacial plasticity controls material removal rate during adhesive sliding contact

Kai Zhao and Ramin Aghababaei

Phys. Rev. Materials 4, 103605 (2020) - Published 8 October, 2020

Stacking faults and alternate crystal structures for the shape-memory alloy NiTi

M. Krcmar, German D. Samolyuk, and James R. Morris

Phys. Rev. Materials 4, 103606 (2020) - Published 12 October, 2020

Phase field simulation of martensitic-transformation-induced plasticity in steel

Rajeev Ahluwalia, Jakub Mikula, Robert Laskowski, and Siu Sin Quek

Phys. Rev. Materials 4, 103607 (2020) - Published 12 October, 2020

Split-vacancy defect complexes of oxygen in hcp and fcc cobalt

Shreyas J. Honrao, Quentin Rizzardi, Robert Maaß, Dallas R. Trinkle, and Richard G. Hennig

Phys. Rev. Materials 4, 103608 (2020) - Published 14 October, 2020

Multiscale analysis of dislocation loops and voids in tungsten

Pui-Wai Ma, D. R. Mason, and S. L. Dudarev

Phys. Rev. Materials 4, 103609 (2020) - Published 22 October, 2020

Recoverable high-energy compounds by reacting methane and nitrogen under high pressure

Feng Peng, Yanming Ma, Andreas Hermann, and Maosheng Miao

Phys. Rev. Materials 4, 103610 (2020) - Published 22 October, 2020

Origins of the transformability of nickel-titanium shape memory alloys

Xian Chen, Colin Ophus, Chengyu Song, Jim Ciston, Sambit Das, Yintao Song, Yuriy Chumlyakov, Andrew M. Minor, Vikram Gavini, and Richard D. James

Phys. Rev. Materials 4, 103611 (2020) - Published 26 October, 2020

Unveiling the atomic-scale origins of high damage tolerance of single-crystal high entropy alloys

Jia Li, Haotian Chen, Quanfeng He, Qihong Fang, Bin Liu, Chao Jiang, Yong Liu, Yong Yang, and Peter K. Liaw

Phys. Rev. Materials 4, 103612 (2020) - Published 26 October, 2020

Development of new methods for materials

Machine learning models for predicting the dielectric constants of oxides based on high-throughput first-principles calculations

Akira Takahashi, Yu Kumagai, Jun Miyamoto, Yasuhide Mochizuki, and Fumiyasu Oba

Phys. Rev. Materials 4, 103801 (2020) - Published 9 October, 2020

Minimal phase-field crystal modeling of vapor-liquid-solid coexistence and transitions

Zi-Le Wang, Zhirong Liu, Zhi-Feng Huang, and Wenhui Duan

Phys. Rev. Materials 4, 103802 (2020) - Published 14 October, 2020

Numerical modeling of the plasma plume propagation and oxidation during pulsed laser deposition of complex oxide thin films

T. Wijnands, E. P. Houwman, G. Koster, G. Rijnders, and M. Huijben

Phys. Rev. Materials 4, 103803 (2020) - Published 21 October, 2020

Two-dimensional materials

Theoretical investigation of charge density wave instability in CuS2

Yuxin Yin, Jennifer Coulter, Christopher J. Ciccarino, and Prineha Narang

Phys. Rev. Materials 4, 104001 (2020) - Published 2 October, 2020

Ab initio investigation of the role of charge transfer in the adsorption properties of H2, N2, O2,CO,NO,CO2, NO2, and CH4 on the van der Waals layered Sn3O4 semiconductor

Rafael L. H. Freire, Marcelo O. Orlandi, and Juarez L. F. Da Silva

Phys. Rev. Materials 4, 104002 (2020) - Published 2 October, 2020

Temperature-dependent Raman scattering and x-ray diffraction study of phase transitions in layered multiferroic CuCrP2S6

M. A. Susner, R. Rao, A. T. Pelton, M. V. McLeod, and B. Maruyama

Phys. Rev. Materials 4, 104003 (2020) - Published 7 October, 2020

Structural, electronic, and excitonic properties of few-layer SeS2 and TeS2

Jingjing Min, Pingping Han, Xiaoyu Ma, Zaiping Zeng, Congxin Xia, and Yu Jia

Phys. Rev. Materials 4, 104004 (2020) - Published 9 October, 2020

Electrical switching of valley polarization in monolayer semiconductors

Lizhong Li, Shengwei Jiang, Zefang Wang, Kenji Watanabe, Takashi Taniguchi, Jie Shan, and Kin Fai Mak

Phys. Rev. Materials 4, 104005 (2020) - Published 13 October, 2020

Electrical switching of valley polarization in 2D semiconductors could enable fast and energy-efficient optoelectronics devices that communicate with photon helicity but its realization remains challenging because the electronic valley degree of freedom does not directly couple to electric fields. In this paper, by proximity coupling 2D semiconductors to 2D magnets, and by electrically switching the spins of the 2D magnet, reversible electrical switching of the valley polarization has been demonstrated. This study also paves the path for high-speed valleytronics devices.

Electronic correlation, magnetic structure, and magnetotransport in few-layer CrI3

Soumyajit Sarkar and Peter Kratzer

Phys. Rev. Materials 4, 104006 (2020) - Published 14 October, 2020

Spin-orbit-proximitized ferromagnetic metal by monolayer transition metal dichalcogenide: Atlas of spectral functions, spin textures, and spin-orbit torques in Co/MoSe2, Co/WSe2, and Co/TaSe2 heterostructures

Kapildeb Dolui and Branislav K. Nikolić

Phys. Rev. Materials 4, 104007 (2020) - Published 19 October, 2020

The authors demonstrate how to screen computationally heterostructures of ultrathin layers of conventional ferromagnetic metals and monolayers of transition-metal dichalcogenides, using first-principles Green functions and first-principles quantum transport techniques in order to find an optimal manifestation of the spin-orbit proximity effect within a ferromagnetic metal and the corresponding spin-orbit torque on its magnetization once the current is passed through the heterostructures. This approach identifies the Co/WSe2 bilayer as a potentially optimal heterostructure for spintronic applications based on effects that require large current-driven nonequilibrium spin density.

Metallic interfaces in a CaTiO3/LaTiO3 superlattice

Shaozhu Xiao, Fangdi Wen, Xiaoran Liu, M. Kareev, Ruyi Zhang, Yang Song, Yujuan Pei, Jiachang Bi, Shaolong He, Jiangbo Lu, Yanwei Cao, and J. Chakhalian

Phys. Rev. Materials 4, 104008 (2020) - Published 22 October, 2020

Topological and Dirac materials

Energy gap tuning and gate-controlled topological phase transition in InAs/InxGa1xSb composite quantum wells

H. Irie, T. Akiho, F. Couëdo, K. Suzuki, K. Onomitsu, and K. Muraki

Phys. Rev. Materials 4, 104201 (2020) - Published 5 October, 2020

Magnetic, ferroelectric, and multiferroic materials

Structural signatures of the insulator-to-metal transition in BaCo1xNixS2

Emily C. Schueller, Kyle D. Miller, William Zhang, Julia L. Zuo, James M. Rondinelli, Stephen D. Wilson, and Ram Seshadri

Phys. Rev. Materials 4, 104401 (2020) - Published 1 October, 2020

Crystal structure and physical properties of Yb2In and Eu2xYbxIn alloys

F. Guillou, H. Yibole, R. Hamane, V. Hardy, Y. B. Sun, J. J. Zhao, Y. Mudryk, and V. K. Pecharsky

Phys. Rev. Materials 4, 104402 (2020) - Published 5 October, 2020

Local hard and soft pinning of 180° domain walls in BaTiO3 probed by in situ transmission electron microscopy

Reinis Ignatans, Dragan Damjanovic, and Vasiliki Tileli

Phys. Rev. Materials 4, 104403 (2020) - Published 7 October, 2020

Direct observation of magnetic proximity effects in amorphous exchange-spring magnets by neutron reflectometry

A. J. Qviller, C. Frommen, B. C. Hauback, F. Magnus, B. J. Kirby, and B. Hjörvarsson

Phys. Rev. Materials 4, 104404 (2020) - Published 7 October, 2020

Magnetic ground state of La2LiMoO6: A comparison with other Mo5+ (S=1/2) double perovskites

Mirela Dragomir, Adam A. Aczel, Christopher R. Wiebe, Joey A. Lussier, Paul Dube, and John E. Greedan

Phys. Rev. Materials 4, 104406 (2020) - Published 12 October, 2020

Switching the magnetostructural coupling in MnCoGe-based magnetocaloric materials

Xuefei Miao, Yong Gong, Luana Caron, Yurong You, Guizhou Xu, Denis Sheptyakov, Pascal Manuel, Fengjiao Qian, Yujing Zhang, Feng Xu, Niels van Dijk, and Ekkes Brück

Phys. Rev. Materials 4, 104407 (2020) - Published 14 October, 2020

Monoclinic YFe12 phases predicted from first principles

Takahiro Ishikawa, Taro Fukazawa, and Takashi Miyake

Phys. Rev. Materials 4, 104408 (2020) - Published 14 October, 2020

Energy-efficient generation of skyrmion phases in Co/Ni/Pt-based multilayers using Joule heating

Jeffrey A. Brock, Sergio A. Montoya, Mi-Young Im, and Eric E. Fullerton

Phys. Rev. Materials 4, 104409 (2020) - Published 15 October, 2020

Inhomogeneous ferromagnetism mimics signatures of the topological Hall effect in SrRuO3 films

Gideok Kim, K. Son, Y. E. Suyolcu, L. Miao, N. J. Schreiber, H. P. Nair, D. Putzky, M. Minola, G. Christiani, P. A. van Aken, K. M. Shen, D. G. Schlom, G. Logvenov, and B. Keimer

Phys. Rev. Materials 4, 104410 (2020) - Published 16 October, 2020

Synthesis, characterization, and single-crystal growth of a high-entropy rare-earth pyrochlore oxide

Candice Kinsler-Fedon, Qiang Zheng, Qing Huang, Eun Sang Choi, Jiaqiang Yan, Haidong Zhou, David Mandrus, and Veerle Keppens

Phys. Rev. Materials 4, 104411 (2020) - Published 19 October, 2020

Exploring the intrinsic limit of the charge-carrier-induced increase of the Curie temperature of Lu- and La-doped EuO thin films

R. Held, T. Mairoser, A. Melville, J. A. Mundy, M. E. Holtz, D. Hodash, Z. Wang, J. T. Heron, S. T. Dacek, B. Holländer, D. A. Muller, and D. G. Schlom

Phys. Rev. Materials 4, 104412 (2020) - Published 20 October, 2020

Improper relaxor state in (Ca1xSrx)8[AlO2]12(MoO4)2

Hiroki Nakamori, Ichiro Terasaki, and Hiroki Taniguchi

Phys. Rev. Materials 4, 104413 (2020) - Published 22 October, 2020

Realizing square and diamond lattice S=1/2 Heisenberg antiferromagnet models in the α and β phases of the coordination framework, KTi(C2O4)2·xH2O

Aly H. Abdeldaim, Teng Li, Lewis Farrar, Alexander A. Tsirlin, Wenjiao Yao, Alexandra S. Gibbs, Pascal Manuel, Philip Lightfoot, Gøran J. Nilsen, and Lucy Clark

Phys. Rev. Materials 4, 104414 (2020) - Published 23 October, 2020

Electronic and magnetic properties of αFeGe2 films embedded in vertical spin valve devices

Dietmar Czubak, Samuel Gaucher, Lars Oppermann, Jens Herfort, Klaus Zollner, Jaroslav Fabian, Holger T. Grahn, and Manfred Ramsteiner

Phys. Rev. Materials 4, 104415 (2020) - Published 26 October, 2020

Hydrogen tunes magnetic anisotropy by affecting local hybridization at the interface of a ferromagnet with nonmagnetic metals

Konstantin Klyukin, Geoffrey Beach, and Bilge Yildiz

Phys. Rev. Materials 4, 104416 (2020) - Published 28 October, 2020

Motion of phase boundary during antiferroelectric–ferroelectric transition in a PbZrO3-based ceramic

Binzhi Liu, Xinchun Tian, Lin Zhou, and Xiaoli Tan

Phys. Rev. Materials 4, 104417 (2020) - Published 29 October, 2020

Magnetic and all-optical switching properties of amorphous TbxCo100x alloys

Agne Ciuciulkaite, Kshiti Mishra, Marcos V. Moro, Ioan-Augustin Chioar, Richard M. Rowan-Robinson, Sergii Parchenko, Armin Kleibert, Bengt Lindgren, Gabriella Andersson, Carl S. Davies, Alexey Kimel, Marco Berritta, Peter M. Oppeneer, Andrei Kirilyuk, and Vassilios Kapaklis

Phys. Rev. Materials 4, 104418 (2020) - Published 29 October, 2020

Antiferroelectricity and robust dielectric response owing to competing polar and antipolar instabilities in tetragonal tungsten bronze K2RNb5O15 (R: rare-earth)

Tomoki Murata, Hirofumi Akamatsu, Daisuke Hirai, Fumiyasu Oba, and Sakyo Hirose

Phys. Rev. Materials 4, 104419 (2020) - Published 29 October, 2020

Computational design of f-electron Kitaev magnets: Honeycomb and hyperhoneycomb compounds A2PrO3 (A= alkali metals)

Seong-Hoon Jang, Ryoya Sano, Yasuyuki Kato, and Yukitoshi Motome

Phys. Rev. Materials 4, 104420 (2020) - Published 30 October, 2020

Semiconducting materials

Stability, electronic, and optical properties of lead-free halide double perovskites (CH3NH3)2InBiX6 (X = halogen)

Xin Huang, Yunhui Wang, Yakui Weng, Zhihong Yang, and Shuai Dong

Phys. Rev. Materials 4, 104601 (2020) - Published 12 October, 2020

Point and extended defects in heteroepitaxial βGa2O3 films

P. Saadatkia, S. Agarwal, A. Hernandez, E. Reed, I. D. Brackenbury, C. L. Codding, M. O. Liedke, M. Butterling, A. Wagner, and F. A. Selim

Phys. Rev. Materials 4, 104602 (2020) - Published 14 October, 2020

Efficient p-type doping of sputter-deposited NiO thin films with Li, Ag, and Cu acceptors

Kingsley O. Egbo, Chinedu E. Ekuma, Chao Ping Liu, and Kin Man Yu

Phys. Rev. Materials 4, 104603 (2020) - Published 20 October, 2020

Dynamics of the spatial separation of electrons and mobile oxygen vacancies in oxide heterostructures

A. F. Zurhelle, D. V. Christensen, S. Menzel, and F. Gunkel

Phys. Rev. Materials 4, 104604 (2020) - Published 23 October, 2020

Comparison of different methods of nitrogen-vacancy layer formation in diamond for wide-field quantum microscopy

A. J. Healey, A. Stacey, B. C. Johnson, D. A. Broadway, T. Teraji, D. A. Simpson, J.-P. Tetienne, and L. C. L. Hollenberg

Phys. Rev. Materials 4, 104605 (2020) - Published 29 October, 2020

Superconducting materials

Anisotropic physical properties and large critical current density in KCa2Fe4As4F2 single crystal

Sunseng Pyon, Yuto Kobayashi, Ayumu Takahashi, Wenjie Li, Teng Wang, Gang Mu, Ataru Ichinose, Tadashi Kambara, Atsushi Yoshida, and Tsuyoshi Tamegai

Phys. Rev. Materials 4, 104801 (2020) - Published 21 October, 2020

Pressure induced Lifshitz transition in ThFeAsN

Smritijit Sen and Guang-Yu Guo

Phys. Rev. Materials 4, 104802 (2020) - Published 27 October, 2020

Metamaterials, optical, photonic, and plasmonic materials

Thermo-optic nonlinearity of single metal nanoparticles under intense continuous wave illumination

Ieng Wai Un and Yonatan Sivan

Phys. Rev. Materials 4, 105201 (2020) - Published 20 October, 2020

Theory and experimental observation of hyperbolic media based on structural dispersions

Wenjie Ji, Xiaoxi Zhou, Hongchen Chu, Jie Luo, and Yun Lai

Phys. Rev. Materials 4, 105202 (2020) - Published 26 October, 2020

Materials for energy harvesting, storage, and generation

Statistically averaged molecular dynamics simulations of hydrogen diffusion in magnesium and magnesium hydrides

C. D. Spataru, T. W. Heo, B. C. Wood, V. Stavila, S. Kang, M. D. Allendorf, and X. W. Zhou

Phys. Rev. Materials 4, 105401 (2020) - Published 5 October, 2020

Controlling phonon lifetimes via sublattice disordering in AgBiSe2

J. L. Niedziela, D. Bansal, J. Ding, T. Lanigan-Atkins, C. Li, A. F. May, H. Wang, J. Y. Y. Lin, D. L. Abernathy, G. Ehlers, A. Huq, D. Parshall, J. W. Lynn, and O. Delaire

Phys. Rev. Materials 4, 105402 (2020) - Published 12 October, 2020

Due to their ability to convert thermal gradients into useful electrical energy, thermoelectrics are promising for energy efficiency uses. Thermoelectric conversion rates are driven by the ratio of electrical to thermal conductivity in the material, thus substantial research focuses on balancing these competing mechanisms. Here the authors use state-of-the-art neutron scattering and computational modeling to investigate the temperature dependence of the crystal structure, phonon dispersions, and phonon lifetimes to provide new microscopic insight to thermal conductivity suppression in AgBiSe2, a thermoelectric exhibiting a cationic sublattice disordering at high temperature. These combined efforts enable the authors to definitively describe contributions to the thermal conductivity arising from a step-like change in phonon scattering rates directly originating from the combined effects of mass and force-constant disorder due to cation disorder at the structural phase transition. This study highlights the potential of tunable microstructures to control phonon scattering rates in real materials, a necessary component for rational material design, particularly for thermoelectrics.

Coupling of organic cation and inorganic lattice in methylammonium lead halide perovskites: Insights into a pressure-induced isostructural phase transition

Sorb Yesudhas, Randy Burns, Barbara Lavina, Sergey N. Tkachev, Jiuyu Sun, Carsten A. Ullrich, and Suchismita Guha

Phys. Rev. Materials 4, 105403 (2020) - Published 16 October, 2020

Photoexcited charge carrier dynamics in Sb2Se3(100)

Lisa Grad, Fabian von Rohr, Jianzhou Zhao, Matthias Hengsberger, and Jürg Osterwalder

Phys. Rev. Materials 4, 105404 (2020) - Published 26 October, 2020

Yb3+ speciation and energy-transfer dynamics in quantum-cutting Yb3+-doped CsPbCl3 perovskite nanocrystals and single crystals

Joo Yeon D. Roh, Matthew D. Smith, Matthew J. Crane, Daniel Biner, Tyler J. Milstein, Karl W. Krämer, and Daniel R. Gamelin

Phys. Rev. Materials 4, 105405 (2020) - Published 27 October, 2020

Soft, molecular, and amorphous materials

Twisting and untwisting of twisted nematic elastomers

Zoey S. Davidson, Nadia Kapernaum, Jonathan Fiene, Frank Giesselmann, and Metin Sitti

Phys. Rev. Materials 4, 105601 (2020) - Published 9 October, 2020

Glass formation in binary alloys with different atomic symmetries

Yuan-Chao Hu, Kai Zhang, Sebastian A. Kube, Jan Schroers, Mark D. Shattuck, and Corey S. O'Hern

Phys. Rev. Materials 4, 105602 (2020) - Published 27 October, 2020

Nanomaterials

Evolution of ferroelastic domain walls during phase transitions in barium titanate nanoparticles

Jiecheng Diao, Xiaowen Shi, Tadesse A. Assefa, Longlong Wu, Ana F. Suzana, Daniel S. Nunes, Darren Batey, Silvia Cipiccia, Christoph Rau, Ross J. Harder, Wonsuk Cha, and Ian K. Robinson

Phys. Rev. Materials 4, 106001 (2020) - Published 27 October, 2020

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