Volume 3, Issue 2

February 2019

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HIGHLIGHTED ARTICLES

EDITORS' SUGGESTION

RAPID COMMUNICATION

High thermoelectric figure of merit and thermopower in layered perovskite oxides

Vincenzo Fiorentini, Roberta Farris, Edoardo Argiolas, and Maria Barbara Maccioni

Phys. Rev. Materials 3, 022401(R) (2019) - Published 28 February, 2019

A deceptively simple quantity, the thermoelectric figure of merit $Z T$ measures how efficiently a conducting material develops a voltage under a temperature gradient. Its key ingredients are thermopower S and lattice thermal conductivity $κ_{l}$ : if the latter were zero, $Z T$ would simply equal $S^{2}$ in units of the Lorenz number. This paper shows that the layered perovskite La $_{2}$ Ti $_{2}$ O $_{7}$ is not far from this ideal: it has large $S$ due to a rapidly rising density of states typical of transition metal cations, and very small (for a crystal, anyway) $κ_{l}$ due to its layered structure: a feature expected in any material in this class. Along with a Goldilocks combination of large electrical conductivity and modest electron thermal conductivity, this leads to a ”colossal” figure of merit over twice that of most current materials.

EDITORS' SUGGESTION

Experimental realization of atomically flat and $Al O_{2}$ -terminated $LaAl O_{3}$ (001) substrate surfaces

Jeong Rae Kim, Jiyeon N. Lee, Junsik Mun, Yoonkoo Kim, Yeong Jae Shin, Bongju Kim, Saikat Das, Lingfei Wang, Miyoung Kim, Mikk Lippmaa, Tae Heon Kim, and Tae Won Noh

Phys. Rev. Materials 3, 023801 (2019) - Published 8 February, 2019

Oxide single-crystal substrates with atomically smooth and chemically uniform surfaces are indispensable for constructing high-quality epitaxial heterostructures and sharp heterointerfaces. In this paper, the authors develop a simple and efficient recipe to optimize the surface structure in LaAlO $_{3}$ (001) single crystal, a widely used substrate for growing perovskite oxide heterostructures. The authors combine thermal annealing and subsequent deionized water leaching processes to treat the LaAlO $_{3}$ (001) surface. Thanks to the distinct solubility between AlO $_{2}$ and LaO surface layers, the treated substrate exhibits an atomically flat and uniformly AlO $_{2}$ -terminated surface. This method circumvents the high-temperature instability of LaAlO3 (001) surface due to the intrinsic surface polarity.

EDITORS' SUGGESTION

Discovering two-dimensional topological insulators from high-throughput computations

Thomas Olsen, Erik Andersen, Takuya Okugawa, Daniele Torelli, Thorsten Deilmann, and Kristian S. Thygesen

Phys. Rev. Materials 3, 024005 (2019) - Published 28 February, 2019

This paper presents a comprehensive computational screening for 2D topological insulators based on the Computational 2D Materials Database (https://cmr.fysik.dtu.dk/c2db/c2db.html). More than 3,000 2D materials are investigated using an automated evaluation of the $k$ -space Berry phase spectrum, which is calculated directly from the electronic wave functions. The method does not rely on constructing Wannier functions and is therefore ideally suited for high-throughput calculations. A total of 48 quantum spin Hall insulators, seven quantum anomalous Hall insulators, and 21 crystalline topological insulators are identified. A few of the materials have band gaps exceeding 0.5 eV and may constitute promising candidates for realizing topological edge states that are observable at room temperature.

EDITORS' SUGGESTION

Switching on superferromagnetism

A. Arora, L. C. Phillips, P. Nukala, M. Ben Hassine, A. A. Ünal, B. Dkhil, Ll. Balcells, O. Iglesias, A. Barthélémy, F. Kronast, M. Bibes, and S. Valencia

Phys. Rev. Materials 3, 024403 (2019) - Published 8 February, 2019

Electric-field control of magnetism has emerged as a potential approach for low-power consumption spintronics. Although recent results in multiferroic systems have shown the possibility to manipulate the magnetic state of magnetic materials deposited on ferroelectric substrates by means of electric fields, the resulting magnetic state is multidomain in nature. For real multiferroic devices to become a true single magnetic domain state, lower dimensionality is required. In this work, the authors show, for an assemble of iron nanograins deposited on top of a BaTiO $_{3}$ substrate, that an electric field-induced strain is capable of switching on a collective long-range ferromagnetic order (superferromagnetism) on an otherwise zero-dimensional superparamagnetic nanoparticle system. The effect, observed slightly above room temperature, holds promise for the implementation of nanoscale multiferroic systems in spin-based storage and logic architectures operating at ambient conditions.

EDITORS' SUGGESTION

Up-converted photoluminescence from $C H_{3} N H_{3} Pb I_{3}$ perovskite semiconductors: Implications for laser cooling

Takumi Yamada, Tomoko Aharen, and Yoshihiko Kanemitsu

Phys. Rev. Materials 3, 024601 (2019) - Published 13 February, 2019

Although optical refrigeration—“laser cooling”—is an interesting physical phenomenon, its practical implementation in solid-state devices is still difficult due to material limitations. Here, the authors investigate the up-converted photoluminescence (anti-Stokes photoluminescence) from optically thin films and thick crystals of CH $_{3}$ NH $_{3}$ PbI $_{3}$ perovskite. They discuss the competition between the anti-Stokes photoluminescence and the photon reabsorption, and demonstrate that as a result of the high luminescence efficiency, up-conversion gain can occur even in optically thick CH $_{3}$ NH $_{3}$ PbI $_{3}$ single crystals. The optimal excitation energy for the maximum up-conversion gain in perovskites was determined experimentally. These important physical insights lay the foundations for the perovskite-based devices for optical refrigeration.

EDITORS' SUGGESTION

Computational evaluation of new lithium-3 garnets for lithium-ion battery applications as anodes, cathodes, and solid-state electrolytes

Muratahan Aykol, Soo Kim, Vinay I. Hegde, Scott Kirklin, and Chris Wolverton

Phys. Rev. Materials 3, 025402 (2019) - Published 6 February, 2019

Solid-state lithium-ion batteries are expected to power the next-generation of electric vehicles as an integral part of safer, higher-performance energy storage technologies. Using high-throughput density functional theory calculations, combined with the Open Quantum Materials Database (OQMD), the authors explore a large chemical space of potential, new Li $_{3}$ X $_{3}$ Y $_{2}$ O $_{12}$ compounds with the garnet crystal structure to identify material candidates that can serve as electrode or electrolyte components in such a solid-state system. Their virtual screening strategy is guided by thermodynamic rules, along with insights from Li-ion dynamics, and yields a list of new, computer-designed Li-3 garnets as the most promising candidates among the hundreds of possibilities in this material class. These “computational discoveries” are made available to the community for experimental validation and evaluation in solid-state battery applications.

EDITORS' SUGGESTION

How ill-defined constituents produce well-defined nanoparticles: Effect of polymer dispersity on the uniformity of copolymeric micelles

Sriteja Mantha, Shuanhu Qi, Matthias Barz, and Friederike Schmid

Phys. Rev. Materials 3, 026002 (2019) - Published 12 February, 2019

This paper addresses an important question in nanoparticle assembly: whether one needs to use uniform constituents in order to make uniform nanoparticles. Intuitively, one would expect that well-defined batches are necessary to create well-defined assemblies, but the practical laboratory experience is often different. This observation is poorly understood and usually not reported in the final publications. The authors study the problem theoretically, using the example of polymeric nanoparticles made of polydisperse polymers. Their theoretical approach, the self-consistent field (SCF) theory, is well-established and known to be reliable far from critical points. The results show that monodisperse diblock copolymers in solution self assemble to micellar nanoparticles of different sizes, whereas diblock copolymers with moderate dispersity self-assemble to micellar nanoparticles of nearly uniform size. Based on the SCF calculations, the authors can analyze the reasons for this unexpected behavior. Their findings send out a clear message to the scientific community: monodisperse constituents will not necessarily produce monodisperse nanoparticles. Based on the presented calculations it is likely that monodisperse polymers are by no means a requirement for the synthesis of monodisperse micellar nanoparticles; in fact, such systems result in more polydisperse micellar nanoparticles.

REVIEW ARTICLES

Development of semiconducting ScN

Bidesh Biswas and Bivas Saha

Phys. Rev. Materials 3, 020301 (2019) - Published 14 February, 2019

III-V semiconductors are one of the most celebrated class of materials in solid-state physics and device technologies, and are obliquities in modern information technology, solid-state lighting, electronic and optoelectronic devices. However, there is a widespread realization today that several important technologies of the modern era such as thermoelectricity that converts waste heat into electrical energy, plasmonic materials and devices that could be utilized to harvest optical energy in solar-photovoltaics, solar-thermophotovoltaics, photocatalysis, metal/semiconductor superlattices etc. require materials and heterostructure metamaterials that are not possible to achieve with traditional III-V semiconductors. Scandium nitride (ScN) is a group 3 rocksalt indirect bandgap semiconductor and can overcome some of the limitations of traditional III-V semiconductors, thus leading to novel device functionalities. However, unlike other well-known III-V semiconductors, very little attention has been devoted to understand and engineer physical properties of ScN until very recently. In this research update, the authors detail the progress that has taken place over the last several years to overcome the material engineering challenges for high-quality epitaxial ScN thin film growth, analysis of its physical properties including in thermoelectricity and solid-state lighting, $n$ -to- $p$ carrier-type transition, and epitaxial integration of ScN with other rocksalt metallic nitrides.

RAPID COMMUNICATIONS

Topological and Dirac materials

RAPID COMMUNICATION

Noncentrosymmetric compensated half-metal hosting pure spin Weyl nodes, triple nodal points, nodal loops, and nexus fermions

Hyo-Sun Jin, Young-Joon Song, Warren E. Pickett, and Kwan-Woo Lee

Phys. Rev. Materials 3, 021201(R) (2019) - Published 15 February, 2019

Magnetic, ferroelectric, and multiferroic materials

RAPID COMMUNICATION

Ferroelectric polarization control of magnetic anisotropy in $PbZ r_{0.2} T i_{0.8} O_{3}$ / $L a_{0.8} S r_{0.2} Mn O_{3}$ heterostructures

A. Rajapitamahuni, L. L. Tao, Y. Hao, J. Song, X. Xu, E. Y. Tsymbal, and X. Hong

Phys. Rev. Materials 3, 021401(R) (2019) - Published 8 February, 2019

RAPID COMMUNICATION

Realization of Kondo chain in ${CeCo}_{2} {Ga}_{8}$

Kangqiao Cheng, Le Wang, Yuanji Xu, Feng Yang, Haipeng Zhu, Jiezun Ke, Xiufang Lu, Zhengcai Xia, Junfeng Wang, Youguo Shi, Yifeng Yang, and Yongkang Luo

Phys. Rev. Materials 3, 021402(R) (2019) - Published 28 February, 2019

Other electronic materials

RAPID COMMUNICATION

Low-temperature specific heat of doped $SrTi O_{3}$ : Doping dependence of the effective mass and Kadowaki-Woods scaling violation

E. McCalla, M. N. Gastiasoro, G. Cassuto, R. M. Fernandes, and C. Leighton

Phys. Rev. Materials 3, 022001(R) (2019) - Published 15 February, 2019

Materials for energy harvesting, storage, and generation

EDITORS' SUGGESTION

RAPID COMMUNICATION

High thermoelectric figure of merit and thermopower in layered perovskite oxides

Vincenzo Fiorentini, Roberta Farris, Edoardo Argiolas, and Maria Barbara Maccioni

Phys. Rev. Materials 3, 022401(R) (2019) - Published 28 February, 2019

Nanomaterials

RAPID COMMUNICATION

Segregation scheme of indium in AlGaInAs nanowire shells

Luca Francaviglia, Gözde Tütüncüoglu, Sara Martí-Sánchez, Enrico Di Russo, Simon Escobar Steinvall, Jaime Segura Ruiz, Heidi Potts, Martin Friedl, Lorenzo Rigutti, Jordi Arbiol, and Anna Fontcuberta i Morral

Phys. Rev. Materials 3, 023001(R) (2019) - Published 13 February, 2019

ARTICLES

Crystal growth, crystallization, and kinetics

Modified approach for calculating individual energies of polar and semipolar surfaces of group-III nitrides

Toru Akiyama, Yuki Seta, Kohji Nakamura, and Tomonori Ito

Phys. Rev. Materials 3, 023401 (2019) - Published 5 February, 2019

Dynamic slowing-down and crystal nucleation in a supercooled metallic glass former induced by local icosahedral order

F. Puosi and A. Pasturel

Phys. Rev. Materials 3, 023402 (2019) - Published 12 February, 2019

Self-organization of SiGe planar nanowires via anisotropic elastic field

Kailang Liu, Isabelle Berbezier, Luc Favre, Antoine Ronda, Thomas David, Marco Abbarchi, Philippe Gaillard, Thomas Frisch, Bernard Croset, and Jean-Noël Aqua

Phys. Rev. Materials 3, 023403 (2019) - Published 12 February, 2019

Effects of dopants on the glass forming ability in Al-based metallic alloy

Yang Sun, Feng Zhang, Lin Yang, Huajing Song, Mikhail I. Mendelev, Cai-Zhuang Wang, and Kai-Ming Ho

Phys. Rev. Materials 3, 023404 (2019) - Published 15 February, 2019

Structural and mechanical properties

Raman spectroscopy evidence for dimerization and Mott collapse in $α − {RuCl}_{3}$ under pressures

Gaomin Li, Xiaobin Chen, Yuan Gan, Fenglei Li, Mingqi Yan, Fan Ye, Shenghai Pei, Yujun Zhang, Le Wang, Huimin Su, Junfeng Dai, Yuanzhen Chen, Youguo Shi, XinWei Wang, Liyuan Zhang, Shanmin Wang, Dapeng Yu, Fei Ye, Jia-Wei Mei, and Mingyuan Huang

Phys. Rev. Materials 3, 023601 (2019) - Published 8 February, 2019

Temperature-induced phase transition and Li self-diffusion in ${Li}_{2} C_{2}$ : A first-principles study

Stanislav Filippov, Johan Klarbring, Ulrich Häussermann, and Sergei I. Simak

Phys. Rev. Materials 3, 023602 (2019) - Published 19 February, 2019

Plastic intermittency during cyclic loading: From dislocation patterning to microcrack initiation

J. Weiss, W. Ben Rhouma, S. Deschanel, and L. Truskinovsky

Phys. Rev. Materials 3, 023603 (2019) - Published 25 February, 2019

Development of new methods for materials

EDITORS' SUGGESTION

Experimental realization of atomically flat and $Al O_{2}$ -terminated $LaAl O_{3}$ (001) substrate surfaces

Jeong Rae Kim, Jiyeon N. Lee, Junsik Mun, Yoonkoo Kim, Yeong Jae Shin, Bongju Kim, Saikat Das, Lingfei Wang, Miyoung Kim, Mikk Lippmaa, Tae Heon Kim, and Tae Won Noh

Phys. Rev. Materials 3, 023801 (2019) - Published 8 February, 2019

X-ray standing wave technique with spatial resolution: In-plane characterization of surfaces and interfaces by full-field x-ray fluorescence imaging

Wenyang Zhao and Kenji Sakurai

Phys. Rev. Materials 3, 023802 (2019) - Published 12 February, 2019

Nonadiabatic quantum dynamics without potential energy surfaces

Guillermo Albareda, Aaron Kelly, and Angel Rubio

Phys. Rev. Materials 3, 023803 (2019) - Published 22 February, 2019

Active learning of uniformly accurate interatomic potentials for materials simulation

Linfeng Zhang, De-Ye Lin, Han Wang, Roberto Car, and Weinan E

Phys. Rev. Materials 3, 023804 (2019) - Published 25 February, 2019

Locality and computational reliability of linear response calculations for molecular systems

Marco D'Alessandro and Luigi Genovese

Phys. Rev. Materials 3, 023805 (2019) - Published 26 February, 2019

Efficient method for calculating Raman spectra of solids with impurities and alloys and its application to two-dimensional transition metal dichalcogenides

Arsalan Hashemi, Arkady V. Krasheninnikov, Martti Puska, and Hannu-Pekka Komsa

Phys. Rev. Materials 3, 023806 (2019) - Published 28 February, 2019

Two-dimensional materials

Theoretical study of scattering in graphene ribbons in the presence of structural and atomistic edge roughness

Kristof Moors, Antonino Contino, Maarten L. Van de Put, William G. Vandenberghe, Massimo V. Fischetti, Wim Magnus, and Bart Sorée

Phys. Rev. Materials 3, 024001 (2019) - Published 6 February, 2019

Layered semiconductor ${EuTe}_{4}$ with charge density wave order in square tellurium sheets

D. Wu, Q. M. Liu, S. L. Chen, G. Y. Zhong, J. Su, L. Y. Shi, L. Tong, G. Xu, P. Gao, and N. L. Wang

Phys. Rev. Materials 3, 024002 (2019) - Published 11 February, 2019

Graphane with carbon dimer defects: Robust in-gap states and a scalable two-dimensional platform for quantum computation

Lei Hao, Hong-Yan Lu, and C. S. Ting

Phys. Rev. Materials 3, 024003 (2019) - Published 15 February, 2019

Semimetallicity of free-standing hydrogenated monolayer boron from ${MgB}_{2}$

I. Tateishi, N. T. Cuong, C. A. S. Moura, M. Cameau, R. Ishibiki, A. Fujino, S. Okada, A. Yamamoto, M. Araki, S. Ito, S. Yamamoto, M. Niibe, T. Tokushima, D. E. Weibel, T. Kondo, M. Ogata, and I. Matsuda

Phys. Rev. Materials 3, 024004 (2019) - Published 22 February, 2019

EDITORS' SUGGESTION

Discovering two-dimensional topological insulators from high-throughput computations

Thomas Olsen, Erik Andersen, Takuya Okugawa, Daniele Torelli, Thorsten Deilmann, and Kristian S. Thygesen

Phys. Rev. Materials 3, 024005 (2019) - Published 28 February, 2019

Topological and Dirac materials

Electronically enhanced layer buckling and Au-Au dimerization in epitaxial LaAuSb films

Patrick J. Strohbeen, Dongxue Du, Chenyu Zhang, Estiaque H. Shourov, Fanny Rodolakis, Jessica L. McChesney, Paul M. Voyles, and Jason K. Kawasaki

Phys. Rev. Materials 3, 024201 (2019) - Published 6 February, 2019

Absence of Dirac fermions in layered ${BaZnBi}_{2}$

S. Thirupathaiah, D. Efremov, Y. Kushnirenko, E. Haubold, T. K. Kim, B. R. Pienning, I. Morozov, S. Aswartham, B. Büchner, and S. V. Borisenko

Phys. Rev. Materials 3, 024202 (2019) - Published 6 February, 2019

Breaking crystalline symmetry of epitaxial SnTe films by strain

Steffen Schreyeck, Karl Brunner, Laurens W. Molenkamp, Grzegorz Karczewski, Martin Schmitt, Paolo Sessi, Matthias Vogt, Stefan Wilfert, Artem B. Odobesko, and Matthias Bode

Phys. Rev. Materials 3, 024203 (2019) - Published 12 February, 2019

Bulk single-crystal growth of the theoretically predicted magnetic Weyl semimetals $R AlGe$ ( $R$ = Pr, Ce)

Pascal Puphal, Charles Mielke, Neeraj Kumar, Y. Soh, Tian Shang, Marisa Medarde, Jonathan S. White, and Ekaterina Pomjakushina

Phys. Rev. Materials 3, 024204 (2019) - Published 21 February, 2019

Computational design of flexible electrides with nontrivial band topology

Sheng-Cai Zhu, Lei Wang, Jing-Yu Qu, Jun-Jie Wang, Timofey Frolov, Xing-Qiu Chen, and Qiang Zhu

Phys. Rev. Materials 3, 024205 (2019) - Published 25 February, 2019

Magnetic, ferroelectric, and multiferroic materials

Giant negative electrostriction and dielectric tunability in a van der Waals layered ferroelectric

Sabine M. Neumayer, Eugene A. Eliseev, Michael A. Susner, Alexander Tselev, Brian J. Rodriguez, John A. Brehm, Sokrates T. Pantelides, Ganesh Panchapakesan, Stephen Jesse, Sergei V. Kalinin, Michael A. McGuire, Anna N. Morozovska, Petro Maksymovych, and Nina Balke

Phys. Rev. Materials 3, 024401 (2019) - Published 1 February, 2019

Mechanisms of enhanced thermal stability of polarization in lead-free ${(B i_{1 / 2} N a_{1 / 2})}_{0.94} B a_{0.06} Ti O_{3}$ /ZnO ceramic composites

Zhongming Fan, Lin Zhou, Tae-Hoon Kim, Ji Zhang, Shan-Tao Zhang, and Xiaoli Tan

Phys. Rev. Materials 3, 024402 (2019) - Published 6 February, 2019

EDITORS' SUGGESTION

Switching on superferromagnetism

A. Arora, L. C. Phillips, P. Nukala, M. Ben Hassine, A. A. Ünal, B. Dkhil, Ll. Balcells, O. Iglesias, A. Barthélémy, F. Kronast, M. Bibes, and S. Valencia

Phys. Rev. Materials 3, 024403 (2019) - Published 8 February, 2019

Experimental evidence of orbital ferrimagnetism in ${CoMnO}_{3}$ (0001) epitaxial thin film

Hiroki Koizumi, Sonia Sharmin, Kenta Amemiya, Masako Suzuki-Sakamaki, Jun-ichiro Inoue, and Hideto Yanagihara

Phys. Rev. Materials 3, 024404 (2019) - Published 8 February, 2019

Electrically reversible magnetization at the antiperovskite/perovskite interface

Ding-Fu Shao, Gautam Gurung, Tula R. Paudel, and Evgeny Y. Tsymbal

Phys. Rev. Materials 3, 024405 (2019) - Published 19 February, 2019

From $T b_{3} N i_{2}$ to $T b_{3} CoNi$ : The interplay between chemistry, structure, and magnetism

Clemens Ritter, Alessia Provino, Francois Fauth, Sudesh K. Dhar, Vitalij K. Pecharsky, and Pietro Manfrinetti

Phys. Rev. Materials 3, 024406 (2019) - Published 20 February, 2019

Theory of magnetism-driven negative thermal expansion in inverse perovskite antiferromagnets

Masaya Kobayashi and Masahito Mochizuki

Phys. Rev. Materials 3, 024407 (2019) - Published 21 February, 2019

Crystalline-structure-dependent magnetoresistance in ferromagnetic metal/conducting amorphous oxide heterostructures

Shinji Isogami, Jun Uzuhashi, Tadakatsu Ohkubo, and Masamitsu Hayashi

Phys. Rev. Materials 3, 024408 (2019) - Published 21 February, 2019

Giant zero-field cooling exchange-bias-like behavior in antiperovskite $M n_{3} C o_{0.61} M n_{0.39} N$ compound

Ying Sun, Pengwei Hu, Kewen Shi, Hui Wu, Sihao Deng, Qingzhen Huang, Zhiyong Mao, Ping Song, Lei Wang, Weichang Hao, Shenghua Deng, and Cong Wang

Phys. Rev. Materials 3, 024409 (2019) - Published 25 February, 2019

High-throughput screening for spin-gapless semiconductors in quaternary Heusler compounds

Qiang Gao, Ingo Opahle, and Hongbin Zhang

Phys. Rev. Materials 3, 024410 (2019) - Published 27 February, 2019

Nearly ideal spin tunneling efficiency in $Fe / Mg / MgO / Si O_{x} / n^{+}$ -Si(001) junctions

Ryosho Nakane, Mitsuki Ichihara, Shoichi Sato, and Masaaki Tanaka

Phys. Rev. Materials 3, 024411 (2019) - Published 28 February, 2019

Effect of phonon anharmonicity on ferroelectricity in $E u_{x} B a_{1 − x} Ti O_{3}$

Bommareddy Poojitha, Km Rubi, Soumya Sarkar, R. Mahendiran, T. Venkatesan, and Surajit Saha

Phys. Rev. Materials 3, 024412 (2019) - Published 28 February, 2019

Semiconducting materials

EDITORS' SUGGESTION

Up-converted photoluminescence from $C H_{3} N H_{3} Pb I_{3}$ perovskite semiconductors: Implications for laser cooling

Takumi Yamada, Tomoko Aharen, and Yoshihiko Kanemitsu

Phys. Rev. Materials 3, 024601 (2019) - Published 13 February, 2019

Effect of N interstitial complexes on the electronic properties of ${GaAs}_{1 - x} N_{x}$ alloys from first principles

José D. Querales-Flores, Cecilia I. Ventura, and Javier D. Fuhr

Phys. Rev. Materials 3, 024602 (2019) - Published 19 February, 2019

Towards understanding the special stability of ${SrCoO}_{2.5}$ and ${HSrCoO}_{2.5}$

Sze-Chun Tsang, Jingzhao Zhang, Kinfai Tse, and Junyi Zhu

Phys. Rev. Materials 3, 024603 (2019) - Published 25 February, 2019

Superconducting materials

Structure and superconductivity in the binary ${Re}_{1 - x} {Mo}_{x}$ alloys

T. Shang, D. J. Gawryluk, J. A. T. Verezhak, E. Pomjakushina, M. Shi, M. Medarde, J. Mesot, and T. Shiroka

Phys. Rev. Materials 3, 024801 (2019) - Published 7 February, 2019

Superconductivity in $Y_{7} R u_{4} InG e_{12}$

Jin-Ke Bao, Daniel E. Bugaris, Huihuo Zheng, Kristin Willa, Ulrich Welp, Duck Young Chung, and Mercouri G. Kanatzidis

Phys. Rev. Materials 3, 024802 (2019) - Published 12 February, 2019

Other electronic materials

Insights into the electronic structure of ${OsO}_{2}$ using soft and hard x-ray photoelectron spectroscopy in combination with density functional theory

Anna Regoutz, Alex M. Ganose, Lars Blumenthal, Christoph Schlueter, Tien-Lin Lee, Gregor Kieslich, Anthony K. Cheetham, Gwilherm Kerherve, Ying-Sheng Huang, Ruei-San Chen, Giovanni Vinai, Tommaso Pincelli, Giancarlo Panaccione, Kelvin H. L. Zhang, Russell G. Egdell, Johannes Lischner, David O. Scanlon, and David J. Payne

Phys. Rev. Materials 3, 025001 (2019) - Published 4 February, 2019

Diffuson-driven ultralow thermal conductivity in amorphous $N b_{2} O_{5}$ thin films

Zhe Cheng, Alex Weidenbach, Tianli Feng, M. Brooks Tellekamp, Sebastian Howard, Matthew J. Wahila, Bill Zivasatienraj, Brian Foley, Sokrates T. Pantelides, Louis F. J. Piper, William Doolittle, and Samuel Graham

Phys. Rev. Materials 3, 025002 (2019) - Published 21 February, 2019

Metamaterials, optical, photonic, and plasmonic materials

${NaPN}_{2}$ : Deep-ultraviolet nonlinear optical material with unprecedented strong second-harmonic generation coefficient

Zhi Li, Abudukadi Tudi, Peng Ren, Yun Yang, Toshiaki Iitaka, Takami Tohyama, Zhihua Yang, Shilie Pan, and Haibin Su

Phys. Rev. Materials 3, 025201 (2019) - Published 19 February, 2019

Materials for energy harvesting, storage, and generation

Hole-induced electronic and optical transitions in $L a_{1 - x} S r_{x} Fe O_{3}$ epitaxial thin films

Le Wang, Yingge Du, Peter V. Sushko, Mark E. Bowden, Kelsey A. Stoerzinger, Steven M. Heald, Mark D. Scafetta, Tiffany C. Kaspar, and Scott A. Chambers

Phys. Rev. Materials 3, 025401 (2019) - Published 4 February, 2019

EDITORS' SUGGESTION

Computational evaluation of new lithium-3 garnets for lithium-ion battery applications as anodes, cathodes, and solid-state electrolytes

Muratahan Aykol, Soo Kim, Vinay I. Hegde, Scott Kirklin, and Chris Wolverton

Phys. Rev. Materials 3, 025402 (2019) - Published 6 February, 2019

Phonons, magnons, and lattice thermal transport in antiferromagnetic semiconductor MnTe

Sai Mu, Raphaël P. Hermann, Stéphane Gorsse, Huaizhou Zhao, Michael E. Manley, Randy S. Fishman, and L. Lindsay

Phys. Rev. Materials 3, 025403 (2019) - Published 11 February, 2019

Lattice dynamics and elasticity in thermoelectric ${Mg}_{2} {Si}_{1 - x} {Sn}_{x}$

Benedikt Klobes, Johannes de Boor, Ahmet Alatas, Michael Y. Hu, Ronnie E. Simon, and Raphaël P. Hermann

Phys. Rev. Materials 3, 025404 (2019) - Published 28 February, 2019

Soft, molecular, and amorphous materials

Disorder and localization dynamics in polymorphs of the molecular semiconductor pentacene probed by in situ micro-Raman spectroscopy and molecular dynamics simulations

Masahiko Ando, Makoto Yoneya, Thomas B. Kehoe, Hiroyuki Ishii, Takashi Minakata, Masahiro Kawasaki, Claudia M. Duffy, Richard Phillips, and Henning Sirringhaus

Phys. Rev. Materials 3, 025601 (2019) - Published 19 February, 2019