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HIGHLIGHTED ARTICLES

Thermodynamic state of the interface during acoustic cavitation in lipid suspensions

Shamit Shrivastava and Robin O. Cleveland

Phys. Rev. Materials 3, 055602 (2019) - Published 9 May, 2019

Ultrasound-induced bubble formation, which may benefit drug delivery and other medical procedures, is affected by transitions in surrounding lipid membranes.

Charge transport in oxygen-deficient EuTiO3: The emerging picture of dilute metallicity in quantum-paraelectric perovskite oxides

Johannes Engelmayer, Xiao Lin, Christoph P. Grams, Raphael German, Tobias Fröhlich, Joachim Hemberger, Kamran Behnia, and Thomas Lorenz

Phys. Rev. Materials 3, 051401(R) (2019) - Published 2 May, 2019

Dilute metallicity of doped quantum-paralectric SrTiO3 attracts continued attention. The authors present a study of charge transport of the related material EuTiO3. Using oxygen-deficient single crystals to vary the carrier density n, they derive an evolution of the carrier mobility in EuTiO3δ similar to that in SrTiO3δ. Both materials show AT2 resistivity with a universal A(n) dependence, which is described remarkably well within a simple three-band model. An analogous behavior is present in K1xBaxTaO3, another doped quantum paralectric. Thus this study suggests a common generic evolution of metallicity with carrier density in doped quantum-paralectric perovskite oxides, which only weakly depends on material-specific parameters.

Adhesive wear mechanisms in the presence of weak interfaces: Insights from an amorphous model system

Tobias Brink and Jean-François Molinari

Phys. Rev. Materials 3, 053604 (2019) - Published 10 May, 2019

It has long been known that rubbing surfaces are worn by the formation of debris particles, but the microscopic processes behind this phenomenon are still under discussion. In this paper, the authors use atomistic modeling to describe the debris creation process at the nanoscale when the adhesion between the surfaces is reduced—a case that is in fact expected in most material contacts. They find that flatter surfaces are more amenable to slip and low wear and, conversely, wear particles result more easily from high-angle asperity collisions on rougher surfaces. This can be described by a predictive, analytical model at the asperity level based on interface properties and roughness parameters.

Programmable filaments and textiles

A. P. Zakharov and L. M. Pismen

Phys. Rev. Materials 3, 055603 (2019) - Published 10 May, 2019

Janus filaments are made of two polymers, one of them shrinking or swelling upon actuation caused, for example, by heating or cooling. This may be a longitudinally polarized nematic elastomer or a polymer changing volume upon phase transition. Even a small difference in lengths of the merged strands causes a Janus filament to bend. By programming the orientation of the active and passive components along the filament, multiple shapes can be constructed. A still wider variety of forms can be attained when Janus filaments are woven in textiles, more versatile than deformable sheets due to the absence of continuity constraints.

Small transition-metal dichalcogenide nanostructures down to subnanometer by two-dimensional material origami

Wen Zhao, Xibiao Ren, Bo Wang, Chuanhong Jin, Wenhui Duan, and Feng Ding

Phys. Rev. Materials 3, 056001 (2019) - Published 24 May, 2019

The large bending stiffnesses of few-atoms-thick two-dimensional (2D) materials doesn’t allow them to be bent into nanometer-sized tubes or cages. So, different than graphene, most 2D materials don’t have corresponding one-dimensional (1D) nanotube or zero-dimensional (0D) cage structures. In this article, the authors proposed a new strategy to create nanometer-sized 1D or 0D structures of few-atoms-thick 2D materials by using a paper folding-like technique, namely origami approach, to create line defects on one side of the 2D material to induce sharp turns on its surface. Using molybdenum disulfide as an example, their theoretical analysis proved that the origami approach is powerful for creating different types of nanomaterials; some of them are experimentally observed before.

RAPID COMMUNICATIONS

Two-dimensional materials

Many-body effect of mesoscopic localized states in MoS2 monolayer

Yang Yu, Jianchen Dang, Chenjiang Qian, Sibai Sun, Kai Peng, Xin Xie, Shiyao Wu, Feilong Song, Jingnan Yang, Shan Xiao, Longlong Yang, Yunuan Wang, Xinyan Shan, M. A. Rafiq, Bei-Bei Li, and Xiulai Xu

Phys. Rev. Materials 3, 051001(R) (2019) - Published 10 May, 2019

Topological and Dirac materials

Tunable charge to spin conversion in strontium iridate thin films

Arnoud S. Everhardt, Mahendra DC, Xiaoxi Huang, Shehrin Sayed, Tanay A. Gosavi, Yunlong Tang, Chia-Ching Lin, Sasikanth Manipatruni, Ian A. Young, Supriyo Datta, Jian-Ping Wang, and Ramamoorthy Ramesh

Phys. Rev. Materials 3, 051201(R) (2019) - Published 6 May, 2019

Magnetic, ferroelectric, and multiferroic materials

Charge transport in oxygen-deficient EuTiO3: The emerging picture of dilute metallicity in quantum-paraelectric perovskite oxides

Johannes Engelmayer, Xiao Lin, Christoph P. Grams, Raphael German, Tobias Fröhlich, Joachim Hemberger, Kamran Behnia, and Thomas Lorenz

Phys. Rev. Materials 3, 051401(R) (2019) - Published 2 May, 2019

Dilute metallicity of doped quantum-paralectric SrTiO3 attracts continued attention. The authors present a study of charge transport of the related material EuTiO3. Using oxygen-deficient single crystals to vary the carrier density n, they derive an evolution of the carrier mobility in EuTiO3δ similar to that in SrTiO3δ. Both materials show AT2 resistivity with a universal A(n) dependence, which is described remarkably well within a simple three-band model. An analogous behavior is present in K1xBaxTaO3, another doped quantum paralectric. Thus this study suggests a common generic evolution of metallicity with carrier density in doped quantum-paralectric perovskite oxides, which only weakly depends on material-specific parameters.

Intrinsic and extrinsic antiferromagnetic damping in NiO

Takahiro Moriyama, Kensuke Hayashi, Keisuke Yamada, Mutsuhiro Shima, Yutaka Ohya, and Teruo Ono

Phys. Rev. Materials 3, 051402(R) (2019) - Published 9 May, 2019

Semiconducting materials

Electronic band structure and optical properties of boron arsenide

J. Buckeridge and D. O. Scanlon

Phys. Rev. Materials 3, 051601(R) (2019) - Published 8 May, 2019

Blue-green emission from epitaxial yet cation-disordered ZnGeN2xOx

Celeste L. Melamed, M. Brooks Tellekamp, John S. Mangum, John D. Perkins, Patricia Dippo, Eric S. Toberer, and Adele C. Tamboli

Phys. Rev. Materials 3, 051602(R) (2019) - Published 17 May, 2019

ARTICLES

Crystal growth, crystallization, and kinetics

Enhanced doping efficiency of ultrawide band gap semiconductors by metal-semiconductor junction assisted epitaxy

A. Pandey, X. Liu, Z. Deng, W. J. Shin, D. A. Laleyan, K. Mashooq, E. T. Reid, E. Kioupakis, P. Bhattacharya, and Z. Mi

Phys. Rev. Materials 3, 053401 (2019) - Published 9 May, 2019

Intrinsic insulating ground state in transition metal dichalcogenide TiSe2

Daniel J. Campbell, Chris Eckberg, Peter Y. Zavalij, Hsiang-Hsi Kung, Elia Razzoli, Matteo Michiardi, Chris Jozwiak, Aaron Bostwick, Eli Rotenberg, Andrea Damascelli, and Johnpierre Paglione

Phys. Rev. Materials 3, 053402 (2019) - Published 14 May, 2019

Stability of heteroepitaxial coherent growth modes on nanowire radial surfaces

T. Riedl and J. K. N. Lindner

Phys. Rev. Materials 3, 053403 (2019) - Published 28 May, 2019

Bayesian inference of grain growth prediction via multi-phase-field models

Shin-ichi Ito, Hiromichi Nagao, Takashi Kurokawa, Tadashi Kasuya, and Junya Inoue

Phys. Rev. Materials 3, 053404 (2019) - Published 30 May, 2019

Structural and mechanical properties

High-pressure synthesis, crystal growth, and compression behavior of hexagonal CrN2 having one-dimensionally aligned nitrogen dimer

Ken Niwa, Takurou Yamamoto, Takuya Sasaki, and Masashi Hasegawa

Phys. Rev. Materials 3, 053601 (2019) - Published 1 May, 2019

Room-temperature structural phase transition in the quasi-2D spin-12 Heisenberg antiferromagnet Cu(pz)2(ClO4)2

N. Barbero, M. Medarde, T. Shang, D. Sheptyakov, C. P. Landee, J. Mesot, H.-R. Ott, and T. Shiroka

Phys. Rev. Materials 3, 053602 (2019) - Published 7 May, 2019

First principles high-throughput screening to enhance the ductility of lightweight magnesium alloys

Yidi Shen, Hongwei Wang, Bin Li, and Qi An

Phys. Rev. Materials 3, 053603 (2019) - Published 9 May, 2019

Adhesive wear mechanisms in the presence of weak interfaces: Insights from an amorphous model system

Tobias Brink and Jean-François Molinari

Phys. Rev. Materials 3, 053604 (2019) - Published 10 May, 2019

It has long been known that rubbing surfaces are worn by the formation of debris particles, but the microscopic processes behind this phenomenon are still under discussion. In this paper, the authors use atomistic modeling to describe the debris creation process at the nanoscale when the adhesion between the surfaces is reduced—a case that is in fact expected in most material contacts. They find that flatter surfaces are more amenable to slip and low wear and, conversely, wear particles result more easily from high-angle asperity collisions on rougher surfaces. This can be described by a predictive, analytical model at the asperity level based on interface properties and roughness parameters.

Anharmonic effects in the low-frequency vibrational modes of aspirin and paracetamol crystals

Nathaniel Raimbault, Vishikh Athavale, and Mariana Rossi

Phys. Rev. Materials 3, 053605 (2019) - Published 17 May, 2019

Shear-driven motion of Mg {101¯2} twin boundaries via disconnection terrace nucleation, growth, and coalescence

Douglas E. Spearot, Laurent Capolungo, and Carlos N. Tomé

Phys. Rev. Materials 3, 053606 (2019) - Published 17 May, 2019

Toughening in a nacre-like soft-hard layered structure due to weak nonlinearity in the soft layer

Yuko Aoyanagi and Ko Okumura

Phys. Rev. Materials 3, 053607 (2019) - Published 17 May, 2019

Sink strength and dislocation bias of three-dimensional microstructures

Aaron A. Kohnert and Laurent Capolungo

Phys. Rev. Materials 3, 053608 (2019) - Published 28 May, 2019

First-order Raman scattering of rare-earth containing i-MAX single crystals (Mo2/3RE1/3)2AlC (RE=Nd,Gd,Dy,Ho,Er)

A. Champagne, O. Chaix-Pluchery, T. Ouisse, D. Pinek, I. Gélard, L. Jouffret, M. Barbier, F. Wilhelm, Q. Tao, J. Lu, J. Rosen, M. W. Barsoum, and J.-C. Charlier

Phys. Rev. Materials 3, 053609 (2019) - Published 31 May, 2019

Mesoscopic constitutive law with nonlinear elasticity and phase transformation for the twinning-buckling of TATB under dynamic loading

Paul Lafourcade, Christophe Denoual, and Jean-Bernard Maillet

Phys. Rev. Materials 3, 053610 (2019) - Published 31 May, 2019

Oxygen point defect accumulation in single-phase UO2+x

Raul I. Palomares, Marshall T. McDonnell, Li Yang, Tiankai Yao, Jennifer E. S. Szymanowski, Joerg Neuefeind, Ginger E. Sigmon, Jie Lian, Matthew G. Tucker, Brian D. Wirth, and Maik Lang

Phys. Rev. Materials 3, 053611 (2019) - Published 31 May, 2019

Development of new methods for materials

Tunable disorder and localization in the rare-earth nickelates

Changan Wang, Ching-Hao Chang, Angus Huang, Pei-Chun Wang, Ping-Chun Wu, Lin Yang, Chi Xu, Parul Pandey, Min Zeng, Roman Böttger, Horng-Tay Jeng, Yu-Jia Zeng, Manfred Helm, Ying-Hao Chu, R. Ganesh, and Shengqiang Zhou

Phys. Rev. Materials 3, 053801 (2019) - Published 2 May, 2019

Local tuning of fused silica thermal expansion coefficient using femtosecond laser

Pieter Vlugter, Erica Block, and Yves Bellouard

Phys. Rev. Materials 3, 053802 (2019) - Published 10 May, 2019

High-throughput design of 211M2AX compounds

Dominik Ohmer, Gao Qiang, Ingo Opahle, Harish K. Singh, and Hongbin Zhang

Phys. Rev. Materials 3, 053803 (2019) - Published 14 May, 2019

Thermodensity coupling in phase-field-crystal-type models for the study of rapid crystallization

Gabriel Kocher and Nikolas Provatas

Phys. Rev. Materials 3, 053804 (2019) - Published 14 May, 2019

Nanoscale mapping of the electron density at Al grain boundaries and correlation with grain-boundary energy

Proloy Nandi, Xiahan Sang, Eric R. Hoglund, Raymond R. Unocic, Dmitri A. Molodov, and James M. Howe

Phys. Rev. Materials 3, 053805 (2019) - Published 16 May, 2019

First-principles study on the effects of twin boundaries on anodic dissolution of Mg

Hui Ma, Min Liu, Weiliang Chen, Changgang Wang, Xing-Qiu Chen, Junhua Dong, and Wei Ke

Phys. Rev. Materials 3, 053806 (2019) - Published 17 May, 2019

Bayesian optimization of chemical composition: A comprehensive framework and its application to RFe12-type magnet compounds

Taro Fukazawa, Yosuke Harashima, Zhufeng Hou, and Takashi Miyake

Phys. Rev. Materials 3, 053807 (2019) - Published 28 May, 2019

Two-dimensional materials

Syntheses and physical properties of the MAX phase boride Nb2SB and the solid solutions Nb2SBxC1x(x=01)

Tobias Rackl, Lucien Eisenburger, Robin Niklaus, and Dirk Johrendt

Phys. Rev. Materials 3, 054001 (2019) - Published 3 May, 2019

Negative Poisson's ratio in puckered two-dimensional materials

Bei Liu, Mengqi Niu, Jia Fu, Zeyu Xi, Ming Lei, and Ruge Quhe

Phys. Rev. Materials 3, 054002 (2019) - Published 21 May, 2019

Emergence of flat-band magnetism and half-metallicity in twisted bilayer graphene

Alejandro Lopez-Bezanilla

Phys. Rev. Materials 3, 054003 (2019) - Published 28 May, 2019

Modeling grain boundary and surface segregation in multicomponent high-entropy alloys

Paul Wynblatt and Dominique Chatain

Phys. Rev. Materials 3, 054004 (2019) - Published 28 May, 2019

Phase stability of two-dimensional monolayer As1xPx solid solutions revealed by a first-principles cluster expansion

A. Ektarawong, Y. P. Feng, and B. Alling

Phys. Rev. Materials 3, 054005 (2019) - Published 30 May, 2019

Topological and Dirac materials

Spin dynamics of 3d and 4d impurities embedded in prototypical topological insulators

Juba Bouaziz, Manuel dos Santos Dias, Filipe Souza Mendes Guimarães, and Samir Lounis

Phys. Rev. Materials 3, 054201 (2019) - Published 7 May, 2019

Topological and superconducting properties in YD3 (D=In, Sn, Tl, Pb)

Xin-Hai Tu, Peng-Fei Liu, and Bao-Tian Wang

Phys. Rev. Materials 3, 054202 (2019) - Published 13 May, 2019

Hourglass Weyl loops in two dimensions: Theory and material realization in monolayer GaTeI family

Weikang Wu, Yalong Jiao, Si Li, Xian-Lei Sheng, Zhi-Ming Yu, and Shengyuan A. Yang

Phys. Rev. Materials 3, 054203 (2019) - Published 15 May, 2019

Phonon mode calculations and Raman spectroscopy of the bulk-insulating topological insulator BiSbTeSe2

Raphael German, Evgenia V. Komleva, Philipp Stein, Vladimir G. Mazurenko, Zhiwei Wang, Sergey V. Streltsov, Yoichi Ando, and Paul H. M. van Loosdrecht

Phys. Rev. Materials 3, 054204 (2019) - Published 17 May, 2019

Cyclotron-resonance-induced photogalvanic effect in surface states of 200-nm-thick strained HgTe films

S. Candussio, G. V. Budkin, M. Otteneder, D. A. Kozlov, I. A. Dmitriev, V. V. Bel'kov, Z. D. Kvon, N. N. Mikhailov, S. A. Dvoretsky, and S. D. Ganichev

Phys. Rev. Materials 3, 054205 (2019) - Published 23 May, 2019

Influence of lattice termination on the edge states of the quantum spin Hall insulator monolayer 1TWTe2

Alexander Lau, Rajyavardhan Ray, Dániel Varjas, and Anton R. Akhmerov

Phys. Rev. Materials 3, 054206 (2019) - Published 28 May, 2019

Magnetic, ferroelectric, and multiferroic materials

Quasiparticle and excitonic effects in the optical response of KNbO3

Falko Schmidt, Arthur Riefer, Wolf Gero Schmidt, Arno Schindlmayr, Mirco Imlau, Florian Dobener, Nils Mengel, Sangam Chatterjee, and Simone Sanna

Phys. Rev. Materials 3, 054401 (2019) - Published 7 May, 2019

Structure dependence of ferroelectricity in high quality BiMnO3 epitaxial films

Nan Yang, Ye Yuan, Zhao Guan, Ni Zhong, Wen-Xia Chen, Rui-Juan Qi, Yuan-Yuan Zhang, Rong Huang, Xiao-Dong Tang, Ping-Hua Xiang, Chun-Gang Duan, and Jun-Hao Chu

Phys. Rev. Materials 3, 054402 (2019) - Published 10 May, 2019

Magnetic anisotropy of single-crystal antiperovskite Mn3GaC studied by ferromagnetic resonance and dynamic magnetic-response simulations

F. Scheibel, B. Zingsem, T. Feggeler, R. Meckenstock, D. Spoddig, M. Farle, and M. Acet

Phys. Rev. Materials 3, 054403 (2019) - Published 13 May, 2019

Effects of growth orientations and epitaxial strains on phase stability of HfO2 thin films

Shi Liu and Brendan M. Hanrahan

Phys. Rev. Materials 3, 054404 (2019) - Published 14 May, 2019

Coexistence of polar displacements and conduction in doped ferroelectrics: An ab initio comparative study

Chengliang Xia, Yue Chen, and Hanghui Chen

Phys. Rev. Materials 3, 054405 (2019) - Published 15 May, 2019

Revealing the role of local stress on the depolarization of BNT-BT-based relaxors

Julia Glaum, Yooun Heo, Matias Acosta, Pankaj Sharma, Jan Seidel, and Manuel Hinterstein

Phys. Rev. Materials 3, 054406 (2019) - Published 15 May, 2019

Reversible out-of-plane spin texture in a two-dimensional ferroelectric material for persistent spin helix

Haoqiang Ai, Xikui Ma, Xiaofei Shao, Weifeng Li, and Mingwen Zhao

Phys. Rev. Materials 3, 054407 (2019) - Published 15 May, 2019

XMCD study of magnetism and valence state in iron-substituted strontium titanate

Astera S. Tang, Jonathan Pelliciari, Qi Song, Qian Song, Shuai Ning, John W. Freeland, Riccardo Comin, and Caroline A. Ross

Phys. Rev. Materials 3, 054408 (2019) - Published 17 May, 2019

Giant magnetic proximity effect in amorphous layered magnets

K. A. Thórarinsdóttir, H. Palonen, G. K. Palsson, B. Hjörvarsson, and F. Magnus

Phys. Rev. Materials 3, 054409 (2019) - Published 21 May, 2019

Interface ferromagnetism and anomalous Hall effect of CdO/ferromagnetic-insulator heterostructures

Yang Ma, Yu Yun, Yuehui Li, Wenyu Xing, Yunyan Yao, Ranran Cai, Yangyang Chen, Yuan Ji, Peng Gao, Xin-Cheng Xie, and Wei Han

Phys. Rev. Materials 3, 054410 (2019) - Published 22 May, 2019

Extrinsic-intrinsic crossover of the spin Hall effect induced by alloying

Akira Musha, Yusuke Kanno, and Kazuya Ando

Phys. Rev. Materials 3, 054411 (2019) - Published 28 May, 2019

Ba8MnNb6O24: A model two-dimensional spin-52 triangular lattice antiferromagnet

R. Rawl, L. Ge, Z. Lu, Z. Evenson, C. R. Dela Cruz, Q. Huang, M. Lee, E. S. Choi, M. Mourigal, H. D. Zhou, and J. Ma

Phys. Rev. Materials 3, 054412 (2019) - Published 28 May, 2019

Semiconducting materials

Complex dielectric function of GaAs1xBix as a function of Bi content

Mahsa Mahtab, Ron Synowicki, Vahid Bahrami-Yekta, Lars C. Bannow, Stephan W. Koch, Ryan B. Lewis, and Thomas Tiedje

Phys. Rev. Materials 3, 054601 (2019) - Published 3 May, 2019

Frank-Turnbull dopant migration may enhance heteroatom diffusivity: Evidence from alkali-doped Cu(In,Ga)Se2

Diego Colombara

Phys. Rev. Materials 3, 054602 (2019) - Published 17 May, 2019

High-field magnetoresistance of graphite revised

José Barzola-Quiquia, Pablo D. Esquinazi, Christian E. Precker, Markus Stiller, Mahsa Zoraghi, Tobias Förster, Thomas Herrmannsdörfer, and William A. Coniglio

Phys. Rev. Materials 3, 054603 (2019) - Published 17 May, 2019

Oxygen and silicon point defects in Al0.65Ga0.35N

Joshua S. Harris, Benjamin E. Gaddy, Ramón Collazo, Zlatko Sitar, and Douglas L. Irving

Phys. Rev. Materials 3, 054604 (2019) - Published 20 May, 2019

Exciton Mott transition revisited

Daniele Guerci, Massimo Capone, and Michele Fabrizio

Phys. Rev. Materials 3, 054605 (2019) - Published 28 May, 2019

Superconducting materials

Optical evidence of an enhanced electronic effective mass in the anomalous Pb1xTlxTe superconductor

A. Pal, M. Chinotti, L. Degiorgi, P. Walmsley, and I. R. Fisher

Phys. Rev. Materials 3, 054801 (2019) - Published 8 May, 2019

Superconductivity in single-crystalline aluminum- and gallium-hyperdoped germanium

Slawomir Prucnal, Viton Heera, René Hübner, Mao Wang, Grzegorz P. Mazur, Michał J. Grzybowski, Xin Qin, Ye Yuan, Matthias Voelskow, Wolfgang Skorupa, Lars Rebohle, Manfred Helm, Maciej Sawicki, and Shengqiang Zhou

Phys. Rev. Materials 3, 054802 (2019) - Published 9 May, 2019

Colossal photovoltages in strain-driven crystal field transition and symmetry breaking of superconducting epitaxial systems

Fei Xiong, Lin Xie, Luran Zhang, Jiyang Xie, Hui Zhang, Zuimin Jiang, Qingming Chen, and Wanbiao Hu

Phys. Rev. Materials 3, 054803 (2019) - Published 14 May, 2019

Superconductivity in Li-intercalated 1TSnSe2 driven by electric field gating

Yanpeng Song, Xiaowei Liang, Jiangang Guo, Jun Deng, Guoying Gao, and Xiaolong Chen

Phys. Rev. Materials 3, 054804 (2019) - Published 28 May, 2019

Other electronic materials

Evidence for the weak coupling scenario of the Peierls transition in the blue bronze

Bogdan Guster, Miguel Pruneda, Pablo Ordejón, Enric Canadell, and Jean-Paul Pouget

Phys. Rev. Materials 3, 055001 (2019) - Published 16 May, 2019

Metamaterials, optical, photonic, and plasmonic materials

Design of p-type transparent conductors from inverted band structure: The case of inorganic metal halide perovskites

Peng Zhang, Shu Yu, Xiuwen Zhang, and Su-Huai Wei

Phys. Rev. Materials 3, 055201 (2019) - Published 15 May, 2019

Materials for energy harvesting, storage, and generation

Phase field parameters for battery compounds from first-principles calculations

Nicolas G. Hörmann and A. Groß

Phys. Rev. Materials 3, 055401 (2019) - Published 13 May, 2019

Phase and film formation pathway for vacuum-deposited Cu2BaSn(S,Se)4 absorber layers

Jon-Paul Sun, José A. Márquez, Helena Stange, Roland Mainz, and David B. Mitzi

Phys. Rev. Materials 3, 055402 (2019) - Published 15 May, 2019

Challenge in Cu-rich CuInSe2 thin film solar cells: Defect caused by etching

Hossam Elanzeery, Michele Melchiorre, Mohit Sood, Finn Babbe, Florian Werner, Guy Brammertz, and Susanne Siebentritt

Phys. Rev. Materials 3, 055403 (2019) - Published 16 May, 2019

Unsupervised landmark analysis for jump detection in molecular dynamics simulations

Leonid Kahle, Albert Musaelian, Nicola Marzari, and Boris Kozinsky

Phys. Rev. Materials 3, 055404 (2019) - Published 21 May, 2019

Temperature effects on the electronic band structure of PbTe from first principles

José D. Querales-Flores, Jiang Cao, Stephen Fahy, and Ivana Savić

Phys. Rev. Materials 3, 055405 (2019) - Published 23 May, 2019

Soft, molecular, and amorphous materials

Simulating precursor steps for fibril formation in methylcellulose solutions

Vaidyanathan Sethuraman and Kevin D. Dorfman

Phys. Rev. Materials 3, 055601 (2019) - Published 1 May, 2019

Thermodynamic state of the interface during acoustic cavitation in lipid suspensions

Shamit Shrivastava and Robin O. Cleveland

Phys. Rev. Materials 3, 055602 (2019) - Published 9 May, 2019

Ultrasound-induced bubble formation, which may benefit drug delivery and other medical procedures, is affected by transitions in surrounding lipid membranes.

Programmable filaments and textiles

A. P. Zakharov and L. M. Pismen

Phys. Rev. Materials 3, 055603 (2019) - Published 10 May, 2019

Janus filaments are made of two polymers, one of them shrinking or swelling upon actuation caused, for example, by heating or cooling. This may be a longitudinally polarized nematic elastomer or a polymer changing volume upon phase transition. Even a small difference in lengths of the merged strands causes a Janus filament to bend. By programming the orientation of the active and passive components along the filament, multiple shapes can be constructed. A still wider variety of forms can be attained when Janus filaments are woven in textiles, more versatile than deformable sheets due to the absence of continuity constraints.

Magnetization exchange in a single pore due to diffusion in internal fields: Simulation and experiment

Jonathan Mitchell and Edmund Fordham

Phys. Rev. Materials 3, 055604 (2019) - Published 17 May, 2019

Diffusion of oxygen in amorphous tantalum oxide

Derek A. Stewart

Phys. Rev. Materials 3, 055605 (2019) - Published 20 May, 2019

Spin-glass charge ordering in ionic liquids

Amir Levy, Michael McEldrew, and Martin Z. Bazant

Phys. Rev. Materials 3, 055606 (2019) - Published 20 May, 2019

Realizing negative Poisson's ratio in spring networks with close-packed lattice geometries

Jun Liu, Yunhuan Nie, Hua Tong, and Ning Xu

Phys. Rev. Materials 3, 055607 (2019) - Published 24 May, 2019

Microstructural origin of compressive in situ stresses in electron-gun-evaporated silica thin films

Simon Gelin, Delphine Poinot, Sébastien Chatel, Pierre-Jean Calba, and Anaël Lemaître

Phys. Rev. Materials 3, 055608 (2019) - Published 31 May, 2019

Nanomaterials

Small transition-metal dichalcogenide nanostructures down to subnanometer by two-dimensional material origami

Wen Zhao, Xibiao Ren, Bo Wang, Chuanhong Jin, Wenhui Duan, and Feng Ding

Phys. Rev. Materials 3, 056001 (2019) - Published 24 May, 2019

The large bending stiffnesses of few-atoms-thick two-dimensional (2D) materials doesn’t allow them to be bent into nanometer-sized tubes or cages. So, different than graphene, most 2D materials don’t have corresponding one-dimensional (1D) nanotube or zero-dimensional (0D) cage structures. In this article, the authors proposed a new strategy to create nanometer-sized 1D or 0D structures of few-atoms-thick 2D materials by using a paper folding-like technique, namely origami approach, to create line defects on one side of the 2D material to induce sharp turns on its surface. Using molybdenum disulfide as an example, their theoretical analysis proved that the origami approach is powerful for creating different types of nanomaterials; some of them are experimentally observed before.

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