Volume 2, Issue 10

October 2018

Browse Issues:

HIGHLIGHTED ARTICLES

EDITORS' SUGGESTION

RAPID COMMUNICATION

Large enhancement of the spin Hall effect in Mn metal by Sn doping

D. Qu, T. Higo, T. Nishikawa, K. Matsumoto, K. Kondou, D. Nishio-Hamane, R. Ishii, P. K. Muduli, Y. Otani, and S. Nakatsuji

Phys. Rev. Materials 2, 102001(R) (2018) - Published 3 October, 2018

The noncollinear kagome lattice antiferromagnets Mn $_{3} X$ ( $X$ =Sn, Ge, Ga) have attracted much attention due to their large anomalous Hall effect (AHE). As the spin Hall effect (SHE) and AHE share the same origin, the injection of pure spin current into these alloys would also engender large SHE. The authors surprisingly find that even a Mn-Sn amorphous/nanocrystalline alloy exhibits large SHE. These results not only serve as an essential reference in studying the pure spin current phenomena in Mn-based alloys but also offer a promising method in exploring energy efficient spin Hall materials.

EDITORS' SUGGESTION

Unmasking the interior magnetic domain structure and evolution in Nd-Fe-B sintered magnets through high-field magnetic imaging of the fractured surface

David Billington, Kentaro Toyoki, Hiroyuki Okazaki, Yoshinori Kotani, Tomoki Fukagawa, Takeshi Nishiuchi, Satoshi Hirosawa, and Tetsuya Nakamura

Phys. Rev. Materials 2, 104413 (2018) - Published 26 October, 2018

In Nd-Fe-B sintered magnets, observations of how reversed magnetic domains propagate throughout the entire hysteresis loop have been restricted to polished surfaces or transmittable thin films. However, the mechanical processing of the surface introduces defects that nucleate additional reversed magnetic domains which mask the underlying domain pattern. To unmask the interior magnetic domain structure that represents the bulk, soft x-ray absorption microscopy is utilized in this paper to track the reversal of individual grains in the polished and fractured surfaces. Significant variation in the reversal behavior is observed and intergranular correlations are identified. Videos of the magnetic domain propagation accompany this paper.

EDITORS' SUGGESTION

Relationship between crystal structure and multiferroic orders in orthorhombic perovskite manganites

Natalya S. Fedorova, Yoav William Windsor, Christoph Findler, Mahesh Ramakrishnan, Amadé Bortis, Laurenz Rettig, Kenta Shimamoto, Elisabeth M. Bothschafter, Michael Porer, Vincent Esposito, Yi Hu, Aurora Alberca, Thomas Lippert, Christof W. Schneider, Urs Staub, and Nicola A. Spaldin

Phys. Rev. Materials 2, 104414 (2018) - Published 26 October, 2018

Orthorhombic rare-earth manganites, o- $R$ MnO $_{3}$ ( $R$ is a rare-earth cation or Y), are typical representatives of multiferroics in which ferroelectricity is induced by magnetic order. They are of interest because their magnetic and ferroelectric properties can be strongly modified by small external perturbations. Here, the authors use resonant and nonresonant x-ray diffraction measurements, density functional theory, and Monte Carlo simulations to investigate how their properties can be manipulated using chemical pressure and epitaxial strain. The authors extract the evolution of the internal lattice parameters of o- $R$ MnO $_{3}$ under chemical pressure and epitaxial strain as well as the corresponding variations of the microscopic exchange interactions and long-range magnetic order. They demonstrate that chemical pressure and epitaxial strain are accommodated differently by the o- $R$ MnO $_{3}$ crystal lattice, which is key for understanding the difference in the magnetic properties and electric polarizations of bulk samples and strained films.

EDITORS' SUGGESTION

Magnetic structural unit with convex geometry: A building block hosting an exchange-striction-driven magnetoelectric coupling

Kenta Kimura, Yasuyuki Kato, Kunihiko Yamauchi, Atsushi Miyake, Masashi Tokunaga, Akira Matsuo, Koichi Kindo, Mitsuru Akaki, Masayuki Hagiwara, Shojiro Kimura, Masayuki Toyoda, Yukitoshi Motome, and Tsuyoshi Kimura

Phys. Rev. Materials 2, 104415 (2018) - Published 30 October, 2018

A magnetic structural unit with asymmetric geometry may be a source for symmetry-dependent unique phenomena such as the magnetoelectric effect. The authors report the discovery of ferroelectricity and a magnetic-field-induced sign reversal of ferroelectric polarization in Pb(TiO)Cu $_{4}$ (PO $_{4}$ ) $_{4}$ , whose structure is characterized by a staggered array of Cu $_{4}$ O $_{12}$ magnetic units with convex geometry known as square cupola. Their model and first-principles calculations reveal that the observed complex magnetoelectric behavior originates from an exchange striction, where leading exchange interactions between spins play a crucial role. This result demonstrates that materials with convex-shaped magnetic structural units deserve to be explored to achieve strong magnetoelectric couplings.

EDITORS' SUGGESTION

Is it possible to stabilize the 1144-phase pnictides with tri-valence cations?

B. Q. Song, Manh Cuong Nguyen, C. Z. Wang, P. C. Canfield, and K. M. Ho

Phys. Rev. Materials 2, 104802 (2018) - Published 5 October, 2018

The lately discovered 1144-phase has inspired significant research interest for its high superconducting temperatures, disorder-free doping, and various chemical substitutions. However, its synthesis is now limited to compounds with cations of IA and IIA group elements. In this work, the authors investigate 1144 iron- and cobalt-arsenides with tri-valence cations (La, Y, In, Tl, Sm, Gd). Remarkably, several new 1144 compounds are predicted, and intriguing electronic structures are demonstrated. The results indicate a potential reservoir of superconductors, as well as provide practical approaches for synthesis. They also shed light on the stability of the more general structure prototype: A-B-A-B stacking ordered crystal materials.

RAPID COMMUNICATIONS

Other electronic materials

EDITORS' SUGGESTION

RAPID COMMUNICATION

Large enhancement of the spin Hall effect in Mn metal by Sn doping

D. Qu, T. Higo, T. Nishikawa, K. Matsumoto, K. Kondou, D. Nishio-Hamane, R. Ishii, P. K. Muduli, Y. Otani, and S. Nakatsuji

Phys. Rev. Materials 2, 102001(R) (2018) - Published 3 October, 2018

ARTICLES

Crystal growth, crystallization, and kinetics

Three-dimensional graphoepitaxial growth of oxide films by pulsed laser deposition

Peter B. Mozhaev, Julia E. Mozhaeva, Alexey V. Khoryushin, Jørn Bindslev Hansen, Claus S. Jacobsen, Igor K. Bdikin, Iosif M. Kotelyanskii, and Valery A. Luzanov

Phys. Rev. Materials 2, 103401 (2018) - Published 9 October, 2018

Nucleation-controlled hysteresis in unstrained hydrothermal $V O_{2}$ particles

Heidi Clarke, Bill D. Caraway, Diane G. Sellers, Erick J. Braham, Sarbajit Banerjee, Raymundo Arróyave, and Patrick J. Shamberger

Phys. Rev. Materials 2, 103402 (2018) - Published 9 October, 2018

Physical properties of noncentrosymmetric tungsten and molybdenum aluminides

Darren C. Peets, Tianping Ying, Xiaoping Shen, Yunjie Yu, Maxim Avdeev, Shiyan Li, and Donglai Feng

Phys. Rev. Materials 2, 103403 (2018) - Published 16 October, 2018

Structural and mechanical properties

Structural evolution of amorphous polymeric nitrogen from ab initio molecular dynamics simulations and evolutionary search

Dominika Melicherová, Oto Kohulák, Dušan Plašienka, and Roman Martoňák

Phys. Rev. Materials 2, 103601 (2018) - Published 8 October, 2018

Temperature dependence of phonons in ${FeGe}_{2}$

Hillary L. Smith, Yang Shen, Dennis S. Kim, Fred C. Yang, C. P. Adams, Chen W. Li, D. L. Abernathy, M. B. Stone, and B. Fultz

Phys. Rev. Materials 2, 103602 (2018) - Published 9 October, 2018

Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids

Petri Hirvonen, Gabriel Martine La Boissonière, Zheyong Fan, Cristian Vasile Achim, Nikolas Provatas, Ken R. Elder, and Tapio Ala-Nissila

Phys. Rev. Materials 2, 103603 (2018) - Published 16 October, 2018

Dynamics of interaction between dislocations and point defects in bcc iron

Luis Casillas-Trujillo, Andrew S. Ervin, Liubin Xu, Alexander Barashev, and Haixuan Xu

Phys. Rev. Materials 2, 103604 (2018) - Published 29 October, 2018

Soft MAX phases with boron substitution: A computational prediction

Poulami Chakraborty, Aurab Chakrabarty, Amlan Dutta, and Tanusri Saha-Dasgupta

Phys. Rev. Materials 2, 103605 (2018) - Published 31 October, 2018

Development of new methods for materials

Imaging of $180^{\circ}$ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism

M. Rüsing, S. Neufeld, J. Brockmeier, C. Eigner, P. Mackwitz, K. Spychala, C. Silberhorn, W. G. Schmidt, G. Berth, A. Zrenner, and S. Sanna

Phys. Rev. Materials 2, 103801 (2018) - Published 12 October, 2018

Boosting material modeling using game tree search

Ryohto Sawada, Yuma Iwasaki, and Masahiko Ishida

Phys. Rev. Materials 2, 103802 (2018) - Published 15 October, 2018

Beyond thermodynamic defect models: A kinetic simulation of arsenic activation in CdTe

D. Krasikov and I. Sankin

Phys. Rev. Materials 2, 103803 (2018) - Published 17 October, 2018

Generalized convex hull construction for materials discovery

Andrea Anelli, Edgar A. Engel, Chris J. Pickard, and Michele Ceriotti

Phys. Rev. Materials 2, 103804 (2018) - Published 22 October, 2018

Automated construction of symmetrized Wannier-like tight-binding models from ab initio calculations

Dominik Gresch, QuanSheng Wu, Georg W. Winkler, Rico Häuselmann, Matthias Troyer, and Alexey A. Soluyanov

Phys. Rev. Materials 2, 103805 (2018) - Published 30 October, 2018

Two-dimensional materials

Excess electron screening of remote donors and mobility in modern GaAs/AlGaAs heterostructures

M. Sammon, Tianran Chen, and B. I. Shklovskii

Phys. Rev. Materials 2, 104001 (2018) - Published 5 October, 2018

Highly crystalline synthesis of tellurene sheets on two-dimensional surfaces: Control over helical chain direction of tellurene

Sijie Yang, Bin Chen, Ying Qin, Yi Zhou, Lei Liu, Michael Durso, Houlong Zhuang, Yuxia Shen, and Sefaattin Tongay

Phys. Rev. Materials 2, 104002 (2018) - Published 11 October, 2018

Monolayer ${Mg}_{2} C$ : Negative Poisson's ratio and unconventional two-dimensional emergent fermions

Shan-Shan Wang, Ying Liu, Zhi-Ming Yu, Xian-Lei Sheng, Liyan Zhu, Shan Guan, and Shengyuan A. Yang

Phys. Rev. Materials 2, 104003 (2018) - Published 17 October, 2018

Thickness dependent electronic structure of exfoliated mono- and few-layer $1 T^{'} − {MoTe}_{2}$

A.-S. Pawlik, S. Aswartham, I. Morozov, M. Knupfer, B. Büchner, D. V. Efremov, and A. Koitzsch

Phys. Rev. Materials 2, 104004 (2018) - Published 26 October, 2018

Intrinsic stacking domains in graphene on silicon carbide: A pathway for intercalation

T. A. de Jong, E. E. Krasovskii, C. Ott, R. M. Tromp, S. J. van der Molen, and J. Jobst

Phys. Rev. Materials 2, 104005 (2018) - Published 31 October, 2018

Topological and Dirac materials

Enhanced surface state protection and band gap in the topological insulator ${PbBi}_{4} {Te}_{4} S_{3}$

K. Sumida, T. Natsumeda, K. Miyamoto, I. V. Silkin, K. Kuroda, K. Shirai, S. Zhu, K. Taguchi, M. Arita, J. Fujii, A. Varykhalov, O. Rader, V. A. Golyashov, K. A. Kokh, O. E. Tereshchenko, E. V. Chulkov, T. Okuda, and A. Kimura

Phys. Rev. Materials 2, 104201 (2018) - Published 1 October, 2018

Unraveling the Dirac fermion dynamics of the bulk-insulating topological system ${Bi}_{2} {Te}_{2} Se$

E. Papalazarou, L. Khalil, M. Caputo, L. Perfetti, N. Nilforoushan, H. Deng, Z. Chen, S. Zhao, A. Taleb-Ibrahimi, M. Konczykowski, A. Hruban, A. Wołoś, A. Materna, L. Krusin-Elbaum, and M. Marsi

Phys. Rev. Materials 2, 104202 (2018) - Published 3 October, 2018

Type-II Dirac line node in strained ${Na}_{3} N$

Dongwook Kim, Seongjin Ahn, Jong Hyun Jung, Hongki Min, Jisoon Ihm, Jung Hoon Han, and Youngkuk Kim

Phys. Rev. Materials 2, 104203 (2018) - Published 11 October, 2018

Magnetic, ferroelectric, and multiferroic materials

Two-dimensional triangular-lattice Cu(OH)Cl, belloite, as a magnetodielectric system

Xu-Guang Zheng, Ichihiro Yamauchi, Shigeto Kitajima, Masayoshi Fujihala, M. Maki, Sanghyun Lee, Masato Hagihala, S. Torii, T. Kamiyama, and Tatsuya Kawae

Phys. Rev. Materials 2, 104401 (2018) - Published 2 October, 2018

Ionic tuning of cobaltites at the nanoscale

Dustin A. Gilbert, Alexander J. Grutter, Peyton D. Murray, Rajesh V. Chopdekar, Alexander M. Kane, Aleksey L. Ionin, Michael S. Lee, Steven R. Spurgeon, Brian J. Kirby, Brian B. Maranville, Alpha T. N’Diaye, Apurva Mehta, Elke Arenholz, Kai Liu, Yayoi Takamura, and Julie A. Borchers

Phys. Rev. Materials 2, 104402 (2018) - Published 3 October, 2018

Substantial enhancement of thermal spin polarization in Py/Cu interface

Shaojie Hu, Jingyan Zhao, Lei Wang, Xiaomin Cui, Kohei Ohnishi, Taisei Ariki, Tai Min, Ke Xia, and Takashi Kimura

Phys. Rev. Materials 2, 104403 (2018) - Published 9 October, 2018

Role of gallium diffusion in the formation of a magnetically dead layer at the $Y_{3} {Fe}_{5} O_{12} / {Gd}_{3} {Ga}_{5} O_{12}$ epitaxial interface

S. M. Suturin, A. M. Korovin, V. E. Bursian, L. V. Lutsev, V. Bourobina, N. L. Yakovlev, M. Montecchi, L. Pasquali, V. Ukleev, A. Vorobiev, A. Devishvili, and N. S. Sokolov

Phys. Rev. Materials 2, 104404 (2018) - Published 10 October, 2018

Interfacial antiferromagnetic coupling between $SrRu O_{3}$ and $L a_{0.7} S r_{0.3} Mn O_{3}$ with orthogonal easy axis

Qing Qin, Shikun He, Weinan Lin, Herng Yau Yoong, Liang Liu, Mengsha Li, Stephen John Pennycook, Wen Xiao, Ping Yang, Wendong Song, and Jingsheng Chen

Phys. Rev. Materials 2, 104405 (2018) - Published 11 October, 2018

Antiferromagnetic-ferromagnetic phase domain development in nanopatterned FeRh islands

R. C. Temple, T. P. Almeida, J. R. Massey, K. Fallon, R. Lamb, S. A. Morley, F. Maccherozzi, S. S. Dhesi, D. McGrouther, S. McVitie, T. A. Moore, and C. H. Marrows

Phys. Rev. Materials 2, 104406 (2018) - Published 17 October, 2018

Coherent growth of oxide films on a cleaved layered metal oxide substrate

Prahald Siwakoti, Hangwen Guo, Zhen Wang, Yimei Zhu, Rosalba Fittipaldi, Antonio Vecchione, Y. Wang, Zhiqiang Mao, and Jiandi Zhang

Phys. Rev. Materials 2, 104407 (2018) - Published 18 October, 2018

Zero-field skyrmions generated via premartensitic transition in $N i_{50} M n_{35.2} I n_{14.8}$ alloy

Shulan Zuo, Feixiang Liang, Ying Zhang, Licong Peng, Jiefu Xiong, Yao Liu, Rui Li, Tongyun Zhao, Jirong Sun, Fengxia Hu, and Baogen Shen

Phys. Rev. Materials 2, 104408 (2018) - Published 18 October, 2018

First-principles-based strain and temperature-dependent ferroic phase diagram of ${SrMnO}_{3}$

Alexander Edström and Claude Ederer

Phys. Rev. Materials 2, 104409 (2018) - Published 19 October, 2018

Deviations from bulk behavior in TbFe(Co) thin films: Interfaces contribution in the biased composition

E. Haltz, R. Weil, J. Sampaio, A. Pointillon, O. Rousseau, K. March, N. Brun, Z. Li, E. Briand, C. Bachelet, Y. Dumont, and A. Mougin

Phys. Rev. Materials 2, 104410 (2018) - Published 23 October, 2018

Spin canting and orbital order in spinel vanadate thin films

Christie J. Thompson, Dalmau Reig-i-Plessis, Lazar Kish, Adam A. Aczel, Biwen Zhang, Evguenia Karapetrova, Gregory J. MacDougall, and Christianne Beekman

Phys. Rev. Materials 2, 104411 (2018) - Published 25 October, 2018

Negative-pressure-induced helimagnetism in ferromagnetic cubic perovskites ${Sr}_{1 - x} {Ba}_{x} {CoO}_{3}$

H. Sakai, S. Yokoyama, A. Kuwabara, J. S. White, E. Canévet, H. M. Rønnow, T. Koretsune, R. Arita, A. Miyake, M. Tokunaga, Y. Tokura, and S. Ishiwata

Phys. Rev. Materials 2, 104412 (2018) - Published 26 October, 2018

EDITORS' SUGGESTION

Unmasking the interior magnetic domain structure and evolution in Nd-Fe-B sintered magnets through high-field magnetic imaging of the fractured surface

David Billington, Kentaro Toyoki, Hiroyuki Okazaki, Yoshinori Kotani, Tomoki Fukagawa, Takeshi Nishiuchi, Satoshi Hirosawa, and Tetsuya Nakamura

Phys. Rev. Materials 2, 104413 (2018) - Published 26 October, 2018

EDITORS' SUGGESTION

Relationship between crystal structure and multiferroic orders in orthorhombic perovskite manganites

Phys. Rev. Materials 2, 104414 (2018) - Published 26 October, 2018

EDITORS' SUGGESTION

Magnetic structural unit with convex geometry: A building block hosting an exchange-striction-driven magnetoelectric coupling

Phys. Rev. Materials 2, 104415 (2018) - Published 30 October, 2018

Cation distribution and magnetic properties in ultrathin $(N i_{1 - x} C o_{x}) F e_{2} O_{4} (x = 0 - 1)$ layers on Si(111) studied by soft x-ray magnetic circular dichroism

Yuki K. Wakabayashi, Yosuke Nonaka, Yukiharu Takeda, Shoya Sakamoto, Keisuke Ikeda, Zhendong Chi, Goro Shibata, Arata Tanaka, Yuji Saitoh, Hiroshi Yamagami, Masaaki Tanaka, Atsushi Fujimori, and Ryosho Nakane

Phys. Rev. Materials 2, 104416 (2018) - Published 30 October, 2018

Polymorphism in Bi-based perovskite oxides: A first-principles study

Akansha Singh, Viveka N. Singh, Enric Canadell, Jorge Íñiguez, and Oswaldo Diéguez

Phys. Rev. Materials 2, 104417 (2018) - Published 31 October, 2018

Surface reconstructions and modified surface states in $L a_{1 - x} C a_{x} Mn O_{3}$

Rama K. Vasudevan, Hemant Dixit, Alexander Tselev, Liang Qiao, Tricia L. Meyer, Valentino R. Cooper, Arthur P. Baddorf, Ho Nyung Lee, P. Ganesh, and Sergei V. Kalinin

Phys. Rev. Materials 2, 104418 (2018) - Published 31 October, 2018

Semiconducting materials

Chemical nature of the anion antisite in dilute phosphide $GaA s_{1 - x} P_{x}$ alloy grown at low temperature

T. Demonchaux, K. K. Sossoe, M. M. Dzagli, J. P. Nys, M. Berthe, D. Troadec, A. Addad, M. Veillerot, G. Patriarche, H. J. von Bardeleben, M. Schnedler, C. Coinon, I. Lefebvre, M. A. Mohou, D. Stiévenard, J. F. Lampin, Ph. Ebert, X. Wallart, and B. Grandidier

Phys. Rev. Materials 2, 104601 (2018) - Published 16 October, 2018

High-mobility InAs 2DEGs on GaSb substrates: A platform for mesoscopic quantum transport

C. Thomas, A. T. Hatke, A. Tuaz, R. Kallaher, T. Wu, T. Wang, R. E. Diaz, G. C. Gardner, M. A. Capano, and M. J. Manfra

Phys. Rev. Materials 2, 104602 (2018) - Published 18 October, 2018

Effect of temperature and configurational disorder on the electronic band gap of boron carbide from first principles

A. Ektarawong, S. I. Simak, and B. Alling

Phys. Rev. Materials 2, 104603 (2018) - Published 19 October, 2018

Towards bipolar tin monoxide: Revealing unexplored dopants

Miglė Graužinytė, Stefan Goedecker, and José A. Flores-Livas

Phys. Rev. Materials 2, 104604 (2018) - Published 30 October, 2018

Ab initio calculations of electronic band structure and effective-mass parameters of thermoelectric ${Mg}_{2} X_{1 - x} Y_{x} (X, Y = Si$ , Ge, or Sn) pseudobinary alloys

Juan M. Guerra, Carsten Mahr, Marcel Giar, Michael Czerner, and Christian Heiliger

Phys. Rev. Materials 2, 104605 (2018) - Published 31 October, 2018

Superconducting materials

Lack of superconductivity in the phase diagram of single-crystalline $Eu {(F e_{1 - x} C o_{x})}_{2} A s_{2}$ grown by transition metal arsenide flux

Gang Wang, William R. Meier, Warren E. Straszheim, Joshua Slagle, Sergey L. Bud’ko, and Paul C. Canfield

Phys. Rev. Materials 2, 104801 (2018) - Published 2 October, 2018

EDITORS' SUGGESTION

Is it possible to stabilize the 1144-phase pnictides with tri-valence cations?

B. Q. Song, Manh Cuong Nguyen, C. Z. Wang, P. C. Canfield, and K. M. Ho

Phys. Rev. Materials 2, 104802 (2018) - Published 5 October, 2018

Layered palladates and their relation to nickelates and cuprates

A. S. Botana and M. R. Norman

Phys. Rev. Materials 2, 104803 (2018) - Published 8 October, 2018

Quantum ferroelectric instabilities in superconducting ${SrTiO}_{3}$

J. R. Arce-Gamboa and G. G. Guzmán-Verri

Phys. Rev. Materials 2, 104804 (2018) - Published 31 October, 2018

Other electronic materials

Linear behavior of the optical conductivity and incoherent charge transport in ${BaCoS}_{2}$

D. Santos-Cottin, Y. Klein, Ph. Werner, T. Miyake, L. de' Medici, A. Gauzzi, R. P. S. M. Lobo, and M. Casula

Phys. Rev. Materials 2, 105001 (2018) - Published 1 October, 2018

Metamaterials, optical, photonic, and plasmonic materials

Topological properties of coupled resonator array based on accurate band structure

Yutian Ao, Xiaoyong Hu, Chong Li, Yilong You, and Qihuang Gong

Phys. Rev. Materials 2, 105201 (2018) - Published 16 October, 2018

Compact acoustic retroreflector based on a mirrored Luneburg lens

Yangyang Fu, Junfei Li, Yangbo Xie, Chen Shen, Yadong Xu, Huanyang Chen, and Steven A. Cummer

Phys. Rev. Materials 2, 105202 (2018) - Published 18 October, 2018

Kinetics of charge carrier recombination in $β - {Ga}_{2} O_{3}$ crystals

T. T. Huynh, L. L. C. Lem, A. Kuramata, M. R. Phillips, and C. Ton-That

Phys. Rev. Materials 2, 105203 (2018) - Published 29 October, 2018

Materials for energy harvesting, storage, and generation

Epitaxial strain dependence of band gaps in perovskite oxynitrides compared to perovskite oxides

Nathalie Vonrüti and Ulrich Aschauer

Phys. Rev. Materials 2, 105401 (2018) - Published 8 October, 2018

Promising quaternary chalcogenides as high-band-gap semiconductors for tandem photoelectrochemical water splitting devices: A computational screening approach

Mohnish Pandey and Karsten W. Jacobsen

Phys. Rev. Materials 2, 105402 (2018) - Published 9 October, 2018

Evolution and role of vacancy clusters at grain boundaries of ZnO:Al during accelerated degradation of $Cu (In, Ga) S e_{2}$ solar cells revealed by positron annihilation

Wenqin Shi, Mirjam Theelen, Andrea Illiberi, Nicolas Barreau, Stefan J. van der Sar, Maik Butterling, Henk Schut, Werner Egger, Marcel Dickmann, Christoph Hugenschmidt, Miro Zeman, Ekkes Brück, and Stephan W. H. Eijt

Phys. Rev. Materials 2, 105403 (2018) - Published 15 October, 2018

Molecular dynamics simulations with machine learning potential for Nb-doped lithium garnet-type oxide ${Li}_{7 - x} {La}_{3} ({Zr}_{2 - x} {Nb}_{x}) O_{12}$

Kazutoshi Miwa and Ryoji Asahi

Phys. Rev. Materials 2, 105404 (2018) - Published 24 October, 2018

Potassium fluoride postdeposition treatment with etching step on both Cu-rich and Cu-poor $CuInS e_{2}$ thin film solar cells

Finn Babbe, Hossam Elanzeery, Michele Melchiorre, Anastasiya Zelenina, and Susanne Siebentritt

Phys. Rev. Materials 2, 105405 (2018) - Published 24 October, 2018

Influence of $π$ -conjugated cations and halogen substitution on the optoelectronic and excitonic properties of layered hybrid perovskites

Joshua Leveillee, Claudine Katan, Liujiang Zhou, Aditya D. Mohite, Jacky Even, Sergei Tretiak, André Schleife, and Amanda J. Neukirch

Phys. Rev. Materials 2, 105406 (2018) - Published 29 October, 2018

Mechanical instability of electrode-electrolyte interfaces in solid-state batteries

Giovanna Bucci, Brandon Talamini, Ananya Renuka Balakrishna, Yet-Ming Chiang, and W. Craig Carter

Phys. Rev. Materials 2, 105407 (2018) - Published 30 October, 2018

Soft, molecular, and amorphous materials

Dynamics in glassy polymers: The Eyring model revisited

Didier R. Long, Luca Conca, and Paul Sotta

Phys. Rev. Materials 2, 105601 (2018) - Published 1 October, 2018

Origin of SAXS intensity in the low- $q$ region during the early stage of polymer crystallization from both the melt and glassy state

Takashi Konishi, Daisuke Okamoto, Daisuke Tadokoro, Yoshitaka Kawahara, Koji Fukao, and Yoshihisa Miyamoto

Phys. Rev. Materials 2, 105602 (2018) - Published 2 October, 2018

Nanomaterials

Faceting of local droplet-etched nanoholes in AlGaAs

Vedran Vonk, Taras Slobodskyy, Thomas F. Keller, Marie-Ingrid Richard, Sara Fernández, Tobias Schulli, Christian Heyn, Wolfgang Hansen, and Andreas Stierle

Phys. Rev. Materials 2, 106001 (2018) - Published 8 October, 2018

Acoustic confinement phenomena in oxide multifunctional nanophononic devices

A. E. Bruchhausen, N. D. Lanzillotti-Kimura, B. Jusserand, A. Soukiassian, L. Xie, X. Q. Pan, T. Dekorsy, D. G. Schlom, and A. Fainstein

Phys. Rev. Materials 2, 106002 (2018) - Published 11 October, 2018

Ultrathin Ni nanowires embedded in ${SrTiO}_{3}$ : Vertical epitaxy, strain relaxation mechanisms, and solid-state amorphization

X. Weng, M. Hennes, A. Coati, A. Vlad, Y. Garreau, M. Sauvage-Simkin, E. Fonda, G. Patriarche, D. Demaille, F. Vidal, and Y. Zheng

Phys. Rev. Materials 2, 106003 (2018) - Published 11 October, 2018

ERRATA

Erratum: Kink-limited Orowan strengthening explains the brittle to ductile transition of irradiated and unirradiated bcc metals [Phys. Rev. Materials 2, 073608 (2018)]

T. D. Swinburne and S. L. Dudarev

Phys. Rev. Materials 2, 109901 (2018) - Published 10 October, 2018

Publisher's Note: Accurate force field for molybdenum by machine learning large materials data [Phys. Rev. Materials 1, 043603 (2017)]

Chi Chen, Zhi Deng, Richard Tran, Hanmei Tang, Iek-Heng Chu, and Shyue Ping Ong

Phys. Rev. Materials 2, 109902 (2018) - Published 30 October, 2018