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HIGHLIGHTED ARTICLES

Enhancement of superconducting transition temperature in FeSe electric-double-layer transistor with multivalent ionic liquids

Tomoki Miyakawa, Junichi Shiogai, Sunao Shimizu, Michio Matsumoto, Yukihiro Ito, Takayuki Harada, Kohei Fujiwara, Tsutomu Nojima, Yoshimitsu Itoh, Takuzo Aida, Yoshihiro Iwasa, and Atsushi Tsukazaki

Phys. Rev. Materials 2, 031801(R) (2018) - Published 26 March, 2018

Electric-double-layer transistors (EDLTs), which consist of ionic liquids (IL) as gate dielectrics, have attracted keen interest owing to dramatic modulation of physical properties by high-density carrier accumulation and tuning. In this study, EDLTs based on the superconducting ultrathin FeSe film with multivalent ILs exhibit a great potential for improvement of physical properties at the interface charge accumulation layer. The superior superconducting property found in high-Tc FeSe-EDLT with divalent IL sheds new light on the importance of interface engineering via appropriate selection of ILs.

Evaluation of van der Waals density functionals for layered materials

Sherif Abdulkader Tawfik, Tim Gould, Catherine Stampfl, and Michael J. Ford

Phys. Rev. Materials 2, 034005 (2018) - Published 22 March, 2018

The authors examine a new generation of van der Waals density functionals for the prediction of the geometric and energetic properties of layered materials, and report that the recent inclusion of fractionally ionic effects with many-body dispersions displays outstanding accuracy that almost matches highly accurate “benchmark” models, but at a much lower computational cost. Three other methods perform almost as well. They conclude that the evolution of dispersion models is approaching chemical accuracy for van der Waals heterostructures, and that further refinements should seek to improve the underlying polarizability models, such as by including fractional ions or through more accurate treatment of the chemical environment.

Frustrated spin one on a diamond lattice in NiRh2O4

J. R. Chamorro, L. Ge, J. Flynn, M. A. Subramanian, M. Mourigal, and T. M. McQueen

Phys. Rev. Materials 2, 034404 (2018) - Published 28 March, 2018

The fascinating interplay between topology and magnetism was first observed in integer spin chains. As conjectured by Haldane, half-integer and integer spin chains differ in their excitation spectra: while the former are gapless, the latter contain a Haldane gap. Though there are now many examples of Haldane gap materials, they all contain spin chains and are thus quasi-one-dimensional materials. Recent proposals suggest that strongly correlated, three-dimensional spin-one diamond lattices can also harbor topological magnetic states and Haldane-gapped excitation spectra, however, no materials have been found to harbor spin-one on a diamond lattice thus far. The authors present data on NiRh2O4, a tetragonal spinel with Ni2+ (S= 1) on a diamond lattice, and present it as a candidate three-dimensional topological paramagnet.

RAPID COMMUNICATIONS

Structural and mechanical properties

Impact of asymmetric martensite and austenite nucleation and growth behavior on the phase stability and hysteresis of freestanding shape-memory nanoparticles

Won-Seok Ko, Blazej Grabowski, and Jörg Neugebauer

Phys. Rev. Materials 2, 030601(R) (2018) - Published 20 March, 2018

Development of new methods for materials

Quasiparticle spectra from molecules to bulk

Vojtěch Vlček, Eran Rabani, and Daniel Neuhauser

Phys. Rev. Materials 2, 030801(R) (2018) - Published 16 March, 2018

Magnetic, ferroelectric, and multiferroic materials

Ferromagnetism and spin-dependent transport at a complex oxide interface

Yilikal Ayino, Peng Xu, Juan Tigre-Lazo, Jin Yue, Bharat Jalan, and Vlad S. Pribiag

Phys. Rev. Materials 2, 031401(R) (2018) - Published 26 March, 2018

Superconducting materials

Enhancement of superconducting transition temperature in FeSe electric-double-layer transistor with multivalent ionic liquids

Tomoki Miyakawa, Junichi Shiogai, Sunao Shimizu, Michio Matsumoto, Yukihiro Ito, Takayuki Harada, Kohei Fujiwara, Tsutomu Nojima, Yoshimitsu Itoh, Takuzo Aida, Yoshihiro Iwasa, and Atsushi Tsukazaki

Phys. Rev. Materials 2, 031801(R) (2018) - Published 26 March, 2018

Electric-double-layer transistors (EDLTs), which consist of ionic liquids (IL) as gate dielectrics, have attracted keen interest owing to dramatic modulation of physical properties by high-density carrier accumulation and tuning. In this study, EDLTs based on the superconducting ultrathin FeSe film with multivalent ILs exhibit a great potential for improvement of physical properties at the interface charge accumulation layer. The superior superconducting property found in high-Tc FeSe-EDLT with divalent IL sheds new light on the importance of interface engineering via appropriate selection of ILs.

Other electronic materials

Nonlocal Coulomb correlations in pure and electron-doped Sr2IrO4: Spectral functions, Fermi surface, and pseudo-gap-like spectral weight distributions from oriented cluster dynamical mean-field theory

Cyril Martins, Benjamin Lenz, Luca Perfetti, Veronique Brouet, François Bertran, and Silke Biermann

Phys. Rev. Materials 2, 032001(R) (2018) - Published 12 March, 2018

Materials for energy harvesting, storage, and generation

Pseudo-icosahedral Cr55Al232δ as a high-temperature protective material

R. Rosa, S. Bhattacharya, J. Pabla, H. He, J. Misuraca, Y. Nakajima, A. D. Bender, A. K. Antonacci, W. Adrip, D. E. McNally, A. Zebro, P. Kamenov, G. Geschwind, S. Ghose, E. Dooryhee, A. Ibrahim, T. M. Tritt, M. C. Aronson, and J. W. Simonson

Phys. Rev. Materials 2, 032401(R) (2018) - Published 19 March, 2018

Soft, molecular, and amorphous materials

Functional group quantification of polymer nanomembranes with soft x-rays

Daniel F. Sunday, Edwin P. Chan, Sara V. Orski, Ryan C. Nieuwendaal, and Christopher M. Stafford

Phys. Rev. Materials 2, 032601(R) (2018) - Published 15 March, 2018

ARTICLES

Crystal growth, crystallization, and kinetics

Interdiffusion-driven synthesis of tetragonal chromium (III) oxide on BaTiO3

M. Asa, G. Vinai, J. L. Hart, C. Autieri, C. Rinaldi, P. Torelli, G. Panaccione, M. L. Taheri, S. Picozzi, and M. Cantoni

Phys. Rev. Materials 2, 033401 (2018) - Published 9 March, 2018

Phase-field model of vapor-liquid-solid nanowire growth

Nan Wang, Moneesh Upmanyu, and Alain Karma

Phys. Rev. Materials 2, 033402 (2018) - Published 14 March, 2018

Structural and mechanical properties

Structural and chemical orders in Ni64.5Zr35.5 metallic glass by molecular dynamics simulation

L. Tang, T. Q. Wen, N. Wang, Y. Sun, F. Zhang, Z. J. Yang, K. M. Ho, and C. Z. Wang

Phys. Rev. Materials 2, 033601 (2018) - Published 6 March, 2018

Elastic fields, dipole tensors, and interaction between self-interstitial atom defects in bcc transition metals

S. L. Dudarev and Pui-Wai Ma

Phys. Rev. Materials 2, 033602 (2018) - Published 8 March, 2018

Solid solution decomposition and Guinier-Preston zone formation in Al-Cu alloys: A kinetic theory with anisotropic interactions

A. Yu. Stroev, O. I. Gorbatov, Yu. N. Gornostyrev, and P. A. Korzhavyi

Phys. Rev. Materials 2, 033603 (2018) - Published 21 March, 2018

Resolving phase stability in the Ti-O binary with first-principles statistical mechanics methods

N. S. Harsha Gunda, Brian Puchala, and Anton Van der Ven

Phys. Rev. Materials 2, 033604 (2018) - Published 30 March, 2018

Development of new methods for materials

Resistivity scaling model for metals with conduction band anisotropy

Miguel De Clercq, Kristof Moors, Kiroubanand Sankaran, Geoffrey Pourtois, Shibesh Dutta, Christoph Adelmann, Wim Magnus, and Bart Sorée

Phys. Rev. Materials 2, 033801 (2018) - Published 7 March, 2018

Predicting kinetics of polymorphic transformations from structure mapping and coordination analysis

Vladan Stevanović, Ryan Trottier, Charles Musgrave, Félix Therrien, Aaron Holder, and Peter Graf

Phys. Rev. Materials 2, 033802 (2018) - Published 26 March, 2018

Synthesis of high-oxidation Y-Ba-Cu-O phases in superoxygenated thin films

H. Zhang, N. Gauquelin, C. McMahon, D. G. Hawthorn, G. A. Botton, and J. Y. T. Wei

Phys. Rev. Materials 2, 033803 (2018) - Published 26 March, 2018

Two-dimensional materials

Stable biexcitons in two-dimensional metal-halide perovskites with strong dynamic lattice disorder

Félix Thouin, Stefanie Neutzner, Daniele Cortecchia, Vlad Alexandru Dragomir, Cesare Soci, Teddy Salim, Yeng Ming Lam, Richard Leonelli, Annamaria Petrozza, Ajay Ram Srimath Kandada, and Carlos Silva

Phys. Rev. Materials 2, 034001 (2018) - Published 8 March, 2018

Electrically pumped graphene-based Landau-level laser

Samuel Brem, Florian Wendler, Stephan Winnerl, and Ermin Malic

Phys. Rev. Materials 2, 034002 (2018) - Published 14 March, 2018

Electrical valley filtering in transition metal dichalcogenides

Tzu-Chi Hsieh, Mei-Yin Chou, and Yu-Shu Wu

Phys. Rev. Materials 2, 034003 (2018) - Published 14 March, 2018

DC conductivity of twisted bilayer graphene: Angle-dependent transport properties and effects of disorder

M. Anđelković, L. Covaci, and F. M. Peeters

Phys. Rev. Materials 2, 034004 (2018) - Published 20 March, 2018

Evaluation of van der Waals density functionals for layered materials

Sherif Abdulkader Tawfik, Tim Gould, Catherine Stampfl, and Michael J. Ford

Phys. Rev. Materials 2, 034005 (2018) - Published 22 March, 2018

The authors examine a new generation of van der Waals density functionals for the prediction of the geometric and energetic properties of layered materials, and report that the recent inclusion of fractionally ionic effects with many-body dispersions displays outstanding accuracy that almost matches highly accurate “benchmark” models, but at a much lower computational cost. Three other methods perform almost as well. They conclude that the evolution of dispersion models is approaching chemical accuracy for van der Waals heterostructures, and that further refinements should seek to improve the underlying polarizability models, such as by including fractional ions or through more accurate treatment of the chemical environment.

Surface segregation and the Al problem in GaAs quantum wells

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

Phys. Rev. Materials 2, 034006 (2018) - Published 29 March, 2018

Topological and Dirac materials

Role of La doping for topological Hall effect in epitaxial EuO films

Yu Yun, Yang Ma, Tang Su, Wenyu Xing, Yangyang Chen, Yunyan Yao, Ranran Cai, Wei Yuan, and Wei Han

Phys. Rev. Materials 2, 034201 (2018) - Published 26 March, 2018

Magnetic, ferroelectric, and multiferroic materials

Strain gradient induced thermal-electrical response in paraelectric Na0.5Bi0.5TiO3-based ceramics

Pan Chen, Haifeng Zhang, and Baojin Chu

Phys. Rev. Materials 2, 034401 (2018) - Published 1 March, 2018

Epitaxial Heusler superlattice Co2MnAl/Fe2MnAl with perpendicular magnetic anisotropy and termination-dependent half-metallicity

Tobias L. Brown-Heft, John A. Logan, Anthony P. McFadden, Charles Guillemard, Patrick Le Fèvre, François Bertran, Stéphane Andrieu, and Chris J. Palmstrøm

Phys. Rev. Materials 2, 034402 (2018) - Published 13 March, 2018

Effects of Al content and annealing on the phases formation, lattice parameters, and magnetization of AlxFe2B2(x=1.0,1.1,1.2) alloys

E. M. Levin, B. A. Jensen, R. Barua, B. Lejeune, A. Howard, R. W. McCallum, M. J. Kramer, and L. H. Lewis

Phys. Rev. Materials 2, 034403 (2018) - Published 26 March, 2018

Frustrated spin one on a diamond lattice in NiRh2O4

J. R. Chamorro, L. Ge, J. Flynn, M. A. Subramanian, M. Mourigal, and T. M. McQueen

Phys. Rev. Materials 2, 034404 (2018) - Published 28 March, 2018

The fascinating interplay between topology and magnetism was first observed in integer spin chains. As conjectured by Haldane, half-integer and integer spin chains differ in their excitation spectra: while the former are gapless, the latter contain a Haldane gap. Though there are now many examples of Haldane gap materials, they all contain spin chains and are thus quasi-one-dimensional materials. Recent proposals suggest that strongly correlated, three-dimensional spin-one diamond lattices can also harbor topological magnetic states and Haldane-gapped excitation spectra, however, no materials have been found to harbor spin-one on a diamond lattice thus far. The authors present data on NiRh2O4, a tetragonal spinel with Ni2+ (S= 1) on a diamond lattice, and present it as a candidate three-dimensional topological paramagnet.

High-temperature thermophysical properties of γ- and δ-Mn from first principles

Hossein Ehteshami and Andrei V. Ruban

Phys. Rev. Materials 2, 034405 (2018) - Published 30 March, 2018

Semiconducting materials

CsPbBr3 perovskites: Theoretical and experimental investigation on water-assisted transition from nanowire formation to degradation

B. Akbali, G. Topcu, T. Guner, M. Ozcan, M. M. Demir, and H. Sahin

Phys. Rev. Materials 2, 034601 (2018) - Published 5 March, 2018

Prediction of new ground-state crystal structure of Ta2O5

Yong Yang and Yoshiyuki Kawazoe

Phys. Rev. Materials 2, 034602 (2018) - Published 13 March, 2018

Effect of ladder diagrams on optical absorption spectra in a quasiparticle self-consistent GW framework

Brian Cunningham, Myrta Grüning, Pooya Azarhoosh, Dimitar Pashov, and Mark van Schilfgaarde

Phys. Rev. Materials 2, 034603 (2018) - Published 16 March, 2018

Study for material analogs of FeSb2: Material design for thermoelectric materials

Chang-Jong Kang and Gabriel Kotliar

Phys. Rev. Materials 2, 034604 (2018) - Published 16 March, 2018

Sharpness and intensity modulation of the metal-insulator transition in ultrathin VO2 films by interfacial structure manipulation

Ryan McGee, Ankur Goswami, Soupitak Pal, Kalvin Schofield, Syed Asad Manzoor Bukhari, and Thomas Thundat

Phys. Rev. Materials 2, 034605 (2018) - Published 27 March, 2018

Photoelastic properties of zinc-blende AlxGa1xN in the UV: Picosecond ultrasonic studies

J. Whale, A. V. Akimov, S. V. Novikov, C. J. Mellor, and A. J. Kent

Phys. Rev. Materials 2, 034606 (2018) - Published 29 March, 2018

Superconducting materials

Isoelectronic substitutions and aluminium alloying in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor

Fabian O. von Rohr and Robert J. Cava

Phys. Rev. Materials 2, 034801 (2018) - Published 21 March, 2018

Origin of the pressure-dependent Tc valley in superconducting simple cubic phosphorus

Xianxin Wu, Harald O. Jeschke, Domenico Di Sante, Fabian O. von Rohr, Robert J. Cava, and Ronny Thomale

Phys. Rev. Materials 2, 034802 (2018) - Published 27 March, 2018

Ion-exchange synthesis and superconductivity at 8.6 K of Na2Cr3As3 with quasi-one-dimensional crystal structure

Qing-Ge Mu, Bin-Bin Ruan, Bo-Jin Pan, Tong Liu, Jia Yu, Kang Zhao, Gen-Fu Chen, and Zhi-An Ren

Phys. Rev. Materials 2, 034803 (2018) - Published 30 March, 2018

Other electronic materials

Digital modulation of the nickel valence state in a cuprate-nickelate heterostructure

F. Wrobel, B. Geisler, Y. Wang, G. Christiani, G. Logvenov, M. Bluschke, E. Schierle, P. A. van Aken, B. Keimer, R. Pentcheva, and E. Benckiser

Phys. Rev. Materials 2, 035001 (2018) - Published 2 March, 2018

Field-enhanced route to generating anti-Frenkel pairs in HfO2

Marcel Schie, Stephan Menzel, John Robertson, Rainer Waser, and Roger A. De Souza

Phys. Rev. Materials 2, 035002 (2018) - Published 19 March, 2018

Optical and electronic properties of doped p-type CuI: Explanation of transparent conductivity from first principles

Yuwei Li, Jifeng Sun, and David J. Singh

Phys. Rev. Materials 2, 035003 (2018) - Published 26 March, 2018

Metamaterials, optical, photonic, and plasmonic materials

Broadband angle-independent antireflection coatings on nanostructured light trapping solar cells

Abraham Vázquez-Guardado, Javaneh Boroumand, Daniel Franklin, and Debashis Chanda

Phys. Rev. Materials 2, 035201 (2018) - Published 22 March, 2018

High-quality crystalline yttria-stabilized-zirconia thin layer for photonic applications

Guillaume Marcaud, Sylvia Matzen, Carlos Alonso-Ramos, Xavier Le Roux, Mathias Berciano, Thomas Maroutian, Guillaume Agnus, Pascal Aubert, Ludovic Largeau, Valérie Pillard, Samuel Serna, Daniel Benedikovic, Christopher Pendenque, Eric Cassan, Delphine Marris-Morini, Philippe Lecoeur, and Laurent Vivien

Phys. Rev. Materials 2, 035202 (2018) - Published 26 March, 2018

Self-assembled antireflection coatings for light trapping based on SiGe random metasurfaces

Mohammed Bouabdellaoui, Simona Checcucci, Thomas Wood, Meher Naffouti, Robert Paria Sena, Kailang Liu, Carmen M. Ruiz, David Duche, Judikael le Rouzo, Ludovic Escoubas, Gerard Berginc, Nicolas Bonod, Mimoun Zazoui, Luc Favre, Leo Metayer, Antoine Ronda, Isabelle Berbezier, David Grosso, Massimo Gurioli, and Marco Abbarchi

Phys. Rev. Materials 2, 035203 (2018) - Published 28 March, 2018

Materials for energy harvesting, storage, and generation

Dimensional control of defect dynamics in perovskite oxide superlattices

Isaac Bredeson, Lipeng Zhang, P. R. C. Kent, Valentino R. Cooper, and Haixuan Xu (徐海譞)

Phys. Rev. Materials 2, 035401 (2018) - Published 8 March, 2018

Absence of confinement in (SrTiO3)/(SrTi0.8Nb0.2O3) superlattices

G. Bouzerar, S. Thébaud, R. Bouzerar, S. Pailhès, and Ch. Adessi

Phys. Rev. Materials 2, 035402 (2018) - Published 9 March, 2018

Soft, molecular, and amorphous materials

Molecular origins of anisotropic shock propagation in crystalline and amorphous polyethylene

Thomas C. O'Connor, Robert M. Elder, Yelena R. Sliozberg, Timothy W. Sirk, Jan W. Andzelm, and Mark O. Robbins

Phys. Rev. Materials 2, 035601 (2018) - Published 16 March, 2018

Collisional charging of individual submillimeter particles: Using ultrasonic levitation to initiate and track charge transfer

Victor Lee, Nicole M. James, Scott R. Waitukaitis, and Heinrich M. Jaeger

Phys. Rev. Materials 2, 035602 (2018) - Published 29 March, 2018

Evidence of thermal transport anisotropy in stable glasses of vapor deposited organic molecules

Joan Ràfols-Ribé, Riccardo Dettori, Pablo Ferrando-Villalba, Marta Gonzalez-Silveira, Llibertat Abad, Aitor F. Lopeandía, Luciano Colombo, and Javier Rodríguez-Viejo

Phys. Rev. Materials 2, 035603 (2018) - Published 29 March, 2018

Materials for catalysis and electrochemistry

Spectroscopic investigation of the electronic structure of yttria-stabilized zirconia

Thomas Götsch, Erminald Bertel, Alexander Menzel, Michael Stöger-Pollach, and Simon Penner

Phys. Rev. Materials 2, 035801 (2018) - Published 12 March, 2018

Unraveling the oxygen vacancy structures at the reduced CeO2(111) surface

Zhong-Kang Han, Yi-Zhou Yang, Beien Zhu, M. Verónica Ganduglia-Pirovano, and Yi Gao

Phys. Rev. Materials 2, 035802 (2018) - Published 14 March, 2018

Nanomaterials

Structure and energetics of carbon, hexagonal boron nitride, and carbon/hexagonal boron nitride single-layer and bilayer nanoscrolls

Andrei I. Siahlo, Nikolai A. Poklonski, Alexander V. Lebedev, Irina V. Lebedeva, Andrey M. Popov, Sergey A. Vyrko, Andrey A. Knizhnik, and Yurii E. Lozovik

Phys. Rev. Materials 2, 036001 (2018) - Published 12 March, 2018

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