Browse Issues:

HIGHLIGHTED ARTICLES

Temperature dependence of nylon and PTFE triboelectrification

Isaac A. Harris, Melody X. Lim, and Heinrich M. Jaeger

Phys. Rev. Materials 3, 085603 (2019) - Published 14 August, 2019

Experiments pressing two materials together show that static electricity accumulates when surface water lets ions move from one surface to another.

Multiple topological Dirac cones in a mixed-valent Kondo semimetal: g-SmS

Chang-Jong Kang, Dong-Choon Ryu, Junwon Kim, Kyoo Kim, J.-S. Kang, J. D. Denlinger, G. Kotliar, and B. I. Min

Phys. Rev. Materials 3, 081201(R) (2019) - Published 15 August, 2019

The topological nature in a golden phase of SmS (g-SmS), which is a prototypical mixed-valent/Kondo system, has been an issue of current controversy. The authors provide unambiguous evidence that g-SmS is a topological Kondo system, having nontrivial surface states with diverse band topologies. Depending on surface terminations, g-SmS shows multiple topological-Dirac-cone features, such as topological-insulator-type single Dirac cone on the (111) surface, topological-crystalline-insulator-type gapless double Dirac cones on the (110) surface, and Rashba-type gapped double Dirac cones on the (001) surface. Therefore, g-SmS is an ideal playground to investigate diverse band topologies in the different surface terminations of topological Kondo systems.

Nanoscale magnetization inhomogeneity within single phase nanopillars

Thomas O. Farmer, Er-Jia Guo, Ryan D. Desautels, Lisa DeBeer-Schmitt, Aiping Chen, Zhongchang Wang, Quanxi Jia, Julie A. Borchers, Dustin A. Gilbert, Ben Holladay, Sunil K. Sinha, and Michael R. Fitzsimmons

Phys. Rev. Materials 3, 081401(R) (2019) - Published 1 August, 2019

Self-assembling three-dimensional nanostructures are the ideal platforms to achieve strain mediated heterogenous multiferroics, as the strained interfacial area scales with film thickness. The archetypal example, epitaxially strained CoFe2O4 nanopillars embedded in a BaTiO3 matrix, possesses significant out-of-plane uniaxial magnetic anisotropy. In this paper, the authors identify two regions in the CoFe2O4 nanopillars with different magnetic anisotropies. Using micromagnetic simulations and polarized small-angle neutron scattering, they elucidate the consequence of varying anisotropy within the pillar on its magnetization reversal. As the length scales of inhomogeneities of the magnetic anisotropy and the displacement field from the CoFe2O4-BaTiO3 interface are similar, strain-mediated ferroic materials using vertically aligned nanopillars may provide new functionality for potential applications in low-power memory, computing, and sensing.

Activation and electron spin resonance of near-surface implanted bismuth donors in silicon

D. Holmes, W. I. L. Lawrie, B. C. Johnson, A. Asadpoordarvish, J. C. McCallum, D. R. McCamey, and D. N. Jamieson

Phys. Rev. Materials 3, 083403 (2019) - Published 29 August, 2019

Bi donors in Si are attractive for quantum computing due to their large Hilbert space and clock transitions. Qubit control, coupling, and readout by surface nanocircuitry requires a Bi depth of 20 nm—achievable using ion implantation. This work explores the electrical activation, substitutional fraction, and diffusion of near-surface implanted Bi with fluences above and below the Si amorphization threshold into both crystalline and preamorphized Si to find optimal annealing strategies. To demonstrate the successful activation and quantum control, the full hyperfine spectrum of near-surface Bi is obtained using electron spin resonance, supporting the suitability for Bi donor qubits.

Shear banding mechanism in compressed nanocrystalline ceramic nanopillars

Haw-Wen Hsiao, Shu Li, Karin A. Dahmen, and Jian-Min Zuo

Phys. Rev. Materials 3, 083601 (2019) - Published 16 August, 2019

Shear banding causes deformation to be heavily restricted in small volumes of a material, leading to catastrophic failure of materials. Yet how shear bands form is generally not known. Here, the authors follow the entire process of shear banding in the nanocrystalline ceramic (NCC) nanopillars of ZrN using in situ microscopy. The evidence obtained shows that the nanopillars deform through intermittent granular activities due to the nucleation and propagation of dislocations. The stress drops associated with these activities, however, are small as dislocation avalanches are restricted by the nanograin size. Shear band forms in NCC through localized and cooperative granular activities involving nanocrack formation.

Glassy anomalies in the lattice heat capacity of a crystalline solid caused by ferroelectric fluctuation

Y. Ishii, Y. Ouchi, S. Kawaguchi, H. Ishibashi, Y. Kubota, and S. Mori

Phys. Rev. Materials 3, 084414 (2019) - Published 16 August, 2019

Amorphous solids are known to exhibit excess heat capacity that shows a hump near 10 K and diverges from the Debye T3 law at low temperature below 1 K. In this work, the authors report that an insulating crystal Ba1xSrxAl2O4 exhibits these glasslike features, while the periodicity of the crystal is preserved, as a result of large ferroelectric fluctuation. The ferroelectric phase transition of the parent material BaAl2O4 is largely suppressed by a small amount of atomic substitution for Ba, and the structurally disordered state is found outside this ferroelectric ordering. This system can be expected to act as a bridge that connects amorphous solids and crystals and clarifies unsolved problems in amorphous solids.

Two-dimensional defect mapping of the SiO2/4HSiC interface

Judith Woerle, Brett C. Johnson, Corrado Bongiorno, Kohei Yamasue, Gabriel Ferro, Dipanwita Dutta, Thomas A. Jung, Hans Sigg, Yasuo Cho, Ulrike Grossner, and Massimo Camarda

Phys. Rev. Materials 3, 084602 (2019) - Published 15 August, 2019

Silicon carbide (SiC) MOSFETs commonly exhibit a high density of oxidation-induced interface defects, hampering both device performance and reliability. Here, the authors present a new approach for two-dimensional defect mapping of the oxide/SiC interface using electron energy loss spectroscopy (EELS), photoluminescence (PL) and local deep-level transient spectroscopy (local-DLTS). A surface reconstruction process leads to an enlargement of characteristic surface features, allowing to directly correlate the local surface roughness of the SiC surface with the quality of the oxide/semiconductor interface. The combined chemical, optical, and electrical analysis reveals a large concentration of electrically and optically active defects for strongly faceted interface regions, whereas improved interface properties are observed when the SiC surface is atomically flat.

Selective-area chemical beam epitaxy of in-plane InAs one-dimensional channels grown on InP(001), InP(111)B, and InP(011) surfaces

Joon Sue Lee, Sukgeun Choi, Mihir Pendharkar, Daniel J. Pennachio, Brian Markman, Michael Seas, Sebastian Koelling, Marcel A. Verheijen, Lucas Casparis, Karl D. Petersson, Ivana Petkovic, Vanessa Schaller, Mark J. W. Rodwell, Charles M. Marcus, Peter Krogstrup, Leo P. Kouwenhoven, Erik P. A. M. Bakkers, and Chris J. Palmstrøm

Phys. Rev. Materials 3, 084606 (2019) - Published 26 August, 2019

One-dimensional semiconductors with strong spin-orbit coupling have recently gained much attention in the fields of Majorana zero modes and topological quantum computing. The current focus lies on realizing braiding and topological qubits, which require complex nanowire (NW) networks. The authors investigate selective-area growth of in-plane semiconductor NWs for building wafer-scale NW networks. They extensively studied the growth conditions as well as the structural and electrical properties of InAs NWs grown on InP(001), InP(111)B, and InP(110) substrates by chemical beam epitaxy. Low-temperature electrical transport studies suggest that these material systems are suitable for realization of NW networks for topological quantum computing.

Large thermopower anisotropy in PdCoO2 thin films

P. Yordanov, W. Sigle, P. Kaya, M. E. Gruner, R. Pentcheva, B. Keimer, and H.-U. Habermeier

Phys. Rev. Materials 3, 085403 (2019) - Published 15 August, 2019

The delafossite compound PdCoO2 is composed of highly conducting Pd and insulating CoO2 layers. As a consequence of this lattice architecture, the thermopower of PdCoO2 was predicted to be extremely anisotropic. Because of the limited size of available single crystals, however, these predictions had not been tested experimentally. The authors of this paper show that the electric and thermoelectric transport parameters of PdCoO2 along the main crystallographic directions can be determined from measurements on thin films grown on substrates with different offcut angles. The method is applicable to a wide range of thermoelectric materials. The experimental results confirm the predicted thermopower anisotropy of PdCoO2 and thus provide interesting perspectives for thermoelectric device applications.

RAPID COMMUNICATIONS

Structural and mechanical properties

Avalanche statistics and the intermittent-to-smooth transition in microplasticity

G. Sparks, Y. Cui, G. Po, Q. Rizzardi, J. Marian, and R. Maaß

Phys. Rev. Materials 3, 080601(R) (2019) - Published 22 August, 2019

Topological and Dirac materials

Multiple topological Dirac cones in a mixed-valent Kondo semimetal: g-SmS

Chang-Jong Kang, Dong-Choon Ryu, Junwon Kim, Kyoo Kim, J.-S. Kang, J. D. Denlinger, G. Kotliar, and B. I. Min

Phys. Rev. Materials 3, 081201(R) (2019) - Published 15 August, 2019

The topological nature in a golden phase of SmS (g-SmS), which is a prototypical mixed-valent/Kondo system, has been an issue of current controversy. The authors provide unambiguous evidence that g-SmS is a topological Kondo system, having nontrivial surface states with diverse band topologies. Depending on surface terminations, g-SmS shows multiple topological-Dirac-cone features, such as topological-insulator-type single Dirac cone on the (111) surface, topological-crystalline-insulator-type gapless double Dirac cones on the (110) surface, and Rashba-type gapped double Dirac cones on the (001) surface. Therefore, g-SmS is an ideal playground to investigate diverse band topologies in the different surface terminations of topological Kondo systems.

Magnetic, ferroelectric, and multiferroic materials

Nanoscale magnetization inhomogeneity within single phase nanopillars

Thomas O. Farmer, Er-Jia Guo, Ryan D. Desautels, Lisa DeBeer-Schmitt, Aiping Chen, Zhongchang Wang, Quanxi Jia, Julie A. Borchers, Dustin A. Gilbert, Ben Holladay, Sunil K. Sinha, and Michael R. Fitzsimmons

Phys. Rev. Materials 3, 081401(R) (2019) - Published 1 August, 2019

Self-assembling three-dimensional nanostructures are the ideal platforms to achieve strain mediated heterogenous multiferroics, as the strained interfacial area scales with film thickness. The archetypal example, epitaxially strained CoFe2O4 nanopillars embedded in a BaTiO3 matrix, possesses significant out-of-plane uniaxial magnetic anisotropy. In this paper, the authors identify two regions in the CoFe2O4 nanopillars with different magnetic anisotropies. Using micromagnetic simulations and polarized small-angle neutron scattering, they elucidate the consequence of varying anisotropy within the pillar on its magnetization reversal. As the length scales of inhomogeneities of the magnetic anisotropy and the displacement field from the CoFe2O4-BaTiO3 interface are similar, strain-mediated ferroic materials using vertically aligned nanopillars may provide new functionality for potential applications in low-power memory, computing, and sensing.

Other electronic materials

X-ray nanodiffraction studies of ionically controlled nanoscale phase separation in cobaltites

Geoffery Rippy, Lacey Trinh, Alexander M. Kane, Aleksey L. Ionin, Michael S. Lee, Rajesh V. Chopdekar, Joyce M. Christiansen-Salameh, Dustin A. Gilbert, Alexander J. Grutter, Peyton D. Murray, Martin V. Holt, Zhonghou Cai, Kai Liu, Yayoi Takamura, and Roopali Kukreja

Phys. Rev. Materials 3, 082001(R) (2019) - Published 5 August, 2019

ARTICLES

Crystal growth, crystallization, and kinetics

Phase-field investigation of the coarsening of porous structures by surface diffusion

Pierre-Antoine Geslin, Mickaël Buchet, Takeshi Wada, and Hidemi Kato

Phys. Rev. Materials 3, 083401 (2019) - Published 8 August, 2019

Real-time in situ fluorescence study of α-6T thin film growth on muscovite mica

Robert Zimmerleiter, Michael Hohage, and Lidong Sun

Phys. Rev. Materials 3, 083402 (2019) - Published 29 August, 2019

Activation and electron spin resonance of near-surface implanted bismuth donors in silicon

D. Holmes, W. I. L. Lawrie, B. C. Johnson, A. Asadpoordarvish, J. C. McCallum, D. R. McCamey, and D. N. Jamieson

Phys. Rev. Materials 3, 083403 (2019) - Published 29 August, 2019

Bi donors in Si are attractive for quantum computing due to their large Hilbert space and clock transitions. Qubit control, coupling, and readout by surface nanocircuitry requires a Bi depth of 20 nm—achievable using ion implantation. This work explores the electrical activation, substitutional fraction, and diffusion of near-surface implanted Bi with fluences above and below the Si amorphization threshold into both crystalline and preamorphized Si to find optimal annealing strategies. To demonstrate the successful activation and quantum control, the full hyperfine spectrum of near-surface Bi is obtained using electron spin resonance, supporting the suitability for Bi donor qubits.

Growth dynamics of pulsed laser deposited nanofoams

A. Maffini, A. Pazzaglia, D. Dellasega, V. Russo, and M. Passoni

Phys. Rev. Materials 3, 083404 (2019) - Published 30 August, 2019

Structural and mechanical properties

Shear banding mechanism in compressed nanocrystalline ceramic nanopillars

Haw-Wen Hsiao, Shu Li, Karin A. Dahmen, and Jian-Min Zuo

Phys. Rev. Materials 3, 083601 (2019) - Published 16 August, 2019

Shear banding causes deformation to be heavily restricted in small volumes of a material, leading to catastrophic failure of materials. Yet how shear bands form is generally not known. Here, the authors follow the entire process of shear banding in the nanocrystalline ceramic (NCC) nanopillars of ZrN using in situ microscopy. The evidence obtained shows that the nanopillars deform through intermittent granular activities due to the nucleation and propagation of dislocations. The stress drops associated with these activities, however, are small as dislocation avalanches are restricted by the nanograin size. Shear band forms in NCC through localized and cooperative granular activities involving nanocrack formation.

Molecular dynamics simulations of grain interactions in shock-compressed highly textured columnar nanocrystals

P. G. Heighway, D. McGonegle, N. Park, A. Higginbotham, and J. S. Wark

Phys. Rev. Materials 3, 083602 (2019) - Published 19 August, 2019

Deep metallic interdiffusion in a model ferromagnetic/molecular system

Cynthia Fourmental, Amandine Bellec, Vincent Repain, Jérôme Lagoute, Cyril Chacon, Yann Girard, Sylvie Rousset, Yannick J. Dappe, Alina Vlad, Andrea Resta, Yves Garreau, and Alessandro Coati

Phys. Rev. Materials 3, 083603 (2019) - Published 26 August, 2019

Structural disorder and magnetic correlations driven by oxygen doping in Nd2NiO4+δ (δ0.11)

Sumit Ranjan Maity, Monica Ceretti, Lukas Keller, Jürg Schefer, Tian Shang, Ekaterina Pomjakushina, Martin Meven, Denis Sheptyakov, Antonio Cervellino, and Werner Paulus

Phys. Rev. Materials 3, 083604 (2019) - Published 26 August, 2019

Development of new methods for materials

Single-spin sensing of domain-wall structure and dynamics in a thin-film skyrmion host

Alec Jenkins, Matthew Pelliccione, Guoqiang Yu, Xin Ma, Xiaoqin Li, Kang L. Wang, and Ania C. Bleszynski Jayich

Phys. Rev. Materials 3, 083801 (2019) - Published 1 August, 2019

Parametrization of LSDA+U for noncollinear magnetic configurations: Multipolar magnetism in UO2

S. L. Dudarev, P. Liu, D. A. Andersson, C. R. Stanek, T. Ozaki, and C. Franchini

Phys. Rev. Materials 3, 083802 (2019) - Published 19 August, 2019

Substrate effects on charged defects in two-dimensional materials

Dan Wang and Ravishankar Sundararaman

Phys. Rev. Materials 3, 083803 (2019) - Published 28 August, 2019

Two-dimensional materials

Benchmarking van der Waals-treated DFT: The case of hexagonal boron nitride and graphene on Ir(111)

Fabian Schulz, Peter Liljeroth, and Ari P. Seitsonen

Phys. Rev. Materials 3, 084001 (2019) - Published 9 August, 2019

Electronic coupling in the F4-TCNQ/single-layer GaSe heterostructure

Lama Khalil, Debora Pierucci, Evangelos Papalazarou, Julien Chaste, Mathieu G. Silly, Fausto Sirotti, Mahmoud Eddrief, Luca Perfetti, Emmanuel Lhuillier, and Abdelkarim Ouerghi

Phys. Rev. Materials 3, 084002 (2019) - Published 12 August, 2019

Defect-induced magnetism and Yu-Shiba-Rusinov states in twisted bilayer graphene

Alejandro Lopez-Bezanilla and J. L. Lado

Phys. Rev. Materials 3, 084003 (2019) - Published 14 August, 2019

Strain-controlled magnetic and optical properties of monolayer 2HTaSe2

Sugata Chowdhury, Jeffrey R. Simpson, T. L. Einstein, and Angela R. Hight Walker

Phys. Rev. Materials 3, 084004 (2019) - Published 14 August, 2019

Effect of synthesis conditions on the electrical resistivity of TiSe2

Jaime M. Moya, C.-L. Huang, Jesse Choe, Gelu Costin, Matthew S. Foster, and E. Morosan

Phys. Rev. Materials 3, 084005 (2019) - Published 15 August, 2019

Formation of graphene atop a Si adlayer on the C-face of SiC

Jun Li, Qingxiao Wang, Guowei He, Michael Widom, Lydia Nemec, Volker Blum, Moon Kim, Patrick Rinke, and Randall M. Feenstra

Phys. Rev. Materials 3, 084006 (2019) - Published 19 August, 2019

Transferable screened range-separated hybrids for layered materials: The cases of MoS2 and h-BN

Ashwin Ramasubramaniam, Dahvyd Wing, and Leeor Kronik

Phys. Rev. Materials 3, 084007 (2019) - Published 30 August, 2019

Topological and Dirac materials

Two-dimensional nodal-loop half-metal in monolayer MnN

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

Phys. Rev. Materials 3, 084201 (2019) - Published 7 August, 2019

Point group symmetry of cadmium arsenide thin films determined by convergent beam electron diffraction

Honggyu Kim, Manik Goyal, Salva Salmani-Rezaie, Timo Schumann, Tyler N. Pardue, Jian-Min Zuo, and Susanne Stemmer

Phys. Rev. Materials 3, 084202 (2019) - Published 20 August, 2019

Origin of the butterfly magnetoresistance in ZrSiS

J. A. Voerman, L. Mulder, J. C. de Boer, Y. Huang, L. M. Schoop, Chuan Li, and A. Brinkman

Phys. Rev. Materials 3, 084203 (2019) - Published 23 August, 2019

Magnetic, ferroelectric, and multiferroic materials

Tunable multiferroic order parameters in Sr1xBaxMn1yTiyO3

Kamal Chapagain, Dennis E. Brown, Stanislaw Kolesnik, Saul Lapidus, Bianca Haberl, Jamie Molaison, Chuanlong Lin, Curtis Kenney-Benson, Changyong Park, Jaroslaw Pietosa, Ewa Markiewicz, Bartlomiej Andrzejewski, Jeffrey W. Lynn, Stephan Rosenkranz, Bogdan Dabrowski, and Omar Chmaissem

Phys. Rev. Materials 3, 084401 (2019) - Published 1 August, 2019

Size-dependent bistability in multiferroic nanoparticles

Marc Allen, Ian Aupiais, Maximilien Cazayous, and Rogério de Sousa

Phys. Rev. Materials 3, 084402 (2019) - Published 5 August, 2019

Magnetic tunnel junctions with a B2-ordered CoFeCrAl equiatomic Heusler alloy

Tomoki Tsuchiya, Tufan Roy, Kelvin Elphick, Jun Okabayashi, Lakhan Bainsla, Tomohiro Ichinose, Kazuya Z. Suzuki, Masahito Tsujikawa, Masafumi Shirai, Atsufumi Hirohata, and Shigemi Mizukami

Phys. Rev. Materials 3, 084403 (2019) - Published 5 August, 2019

Itinerancy-dependent noncollinear spin textures in SrFeO3, CaFeO3, and CaFeO3/SrFeO3 heterostructures probed via resonant x-ray scattering

Paul C. Rogge, Robert J. Green, Ronny Sutarto, and Steven J. May

Phys. Rev. Materials 3, 084404 (2019) - Published 7 August, 2019

Enhanced ferroelectricity in perovskite oxysulfides

Muhammad Sheeraz, Hye Jung Kim, Kyou-Hyun Kim, Jong-Seong Bae, Ah Young Kim, Manil Kang, Jongmin Lee, Jaesun Song, Abdul Khaliq, Jinkwon Kim, Byeong-Gwan Cho, Sung-Yoon Joe, Jong Hoon Jung, Jae-Hyeon Ko, Tae Yeong Koo, Tae Won Noh, Shinuk Cho, Sanghan Lee, Sang Mo Yang, Young-Han Shin, Ill Won Kim, Chang Won Ahn, and Tae Heon Kim

Phys. Rev. Materials 3, 084405 (2019) - Published 9 August, 2019

Multiscale simulations toward calculating coercivity of Nd-Fe-B permanent magnets at high temperatures

Qihua Gong, Min Yi, and Bai-Xiang Xu

Phys. Rev. Materials 3, 084406 (2019) - Published 9 August, 2019

Ab initio phase stabilities of Ce-based hard magnetic materials and comparison with experimental phase diagrams

Halil İbrahim Sözen, Semih Ener, Fernando Maccari, Konstantin P. Skokov, Oliver Gutfleisch, Fritz Körmann, Jörg Neugebauer, and Tilmann Hickel

Phys. Rev. Materials 3, 084407 (2019) - Published 12 August, 2019

Orienting anisometric pores in ferroelectrics: Piezoelectric property engineering through local electric field distributions

J. Schultheiß, J. I. Roscow, and J. Koruza

Phys. Rev. Materials 3, 084408 (2019) - Published 12 August, 2019

Reversible low-field magnetocaloric effect in Ni-Mn-In-based Heusler alloys

Jun Liu, Xinmin You, Bowei Huang, Ivan Batashev, Michael Maschek, Yuanyuan Gong, Xuefei Miao, Feng Xu, Niels van Dijk, and Ekkes Brück

Phys. Rev. Materials 3, 084409 (2019) - Published 14 August, 2019

Effect of grain-boundary diffusion process on the geometry of the grain microstructure of NdFeB nanocrystalline magnets

Ivan Titov, Massimiliano Barbieri, Philipp Bender, Inma Peral, Joachim Kohlbrecher, Kotaro Saito, Vitaliy Pipich, Masao Yano, and Andreas Michels

Phys. Rev. Materials 3, 084410 (2019) - Published 14 August, 2019

Enhanced magnetocaloric effect in manganite nanodisks

Yanmei Wang, Jian Shao, Yang Yu, Qian Shi, Yinyan Zhu, Tian Miao, Hanxuan Lin, Lifen Xiang, Qiang Li, Peng Cai, Wenbin Wang, Lifeng Yin, and Jian Shen

Phys. Rev. Materials 3, 084411 (2019) - Published 14 August, 2019

Modification of spin-ice physics in Ho2Ti2O7 thin films

Kevin Barry, Biwen Zhang, Naween Anand, Yan Xin, Arturas Vailionis, Jennifer Neu, Colin Heikes, Charis Cochran, Haidong Zhou, Y. Qiu, William Ratcliff, Theo Siegrist, and Christianne Beekman

Phys. Rev. Materials 3, 084412 (2019) - Published 16 August, 2019

Segregation tendency of Heusler alloys

V. V. Sokolovskiy, M. E. Gruner, P. Entel, M. Acet, A. Çakır, D. R. Baigutlin, and V. D. Buchelnikov

Phys. Rev. Materials 3, 084413 (2019) - Published 19 August, 2019

Glassy anomalies in the lattice heat capacity of a crystalline solid caused by ferroelectric fluctuation

Y. Ishii, Y. Ouchi, S. Kawaguchi, H. Ishibashi, Y. Kubota, and S. Mori

Phys. Rev. Materials 3, 084414 (2019) - Published 16 August, 2019

Amorphous solids are known to exhibit excess heat capacity that shows a hump near 10 K and diverges from the Debye T3 law at low temperature below 1 K. In this work, the authors report that an insulating crystal Ba1xSrxAl2O4 exhibits these glasslike features, while the periodicity of the crystal is preserved, as a result of large ferroelectric fluctuation. The ferroelectric phase transition of the parent material BaAl2O4 is largely suppressed by a small amount of atomic substitution for Ba, and the structurally disordered state is found outside this ferroelectric ordering. This system can be expected to act as a bridge that connects amorphous solids and crystals and clarifies unsolved problems in amorphous solids.

THz emission from Co/Pt bilayers with varied roughness, crystal structure, and interface intermixing

G. Li, R. Medapalli, R. V. Mikhaylovskiy, F. E. Spada, Th. Rasing, E. E. Fullerton, and A. V. Kimel

Phys. Rev. Materials 3, 084415 (2019) - Published 19 August, 2019

Persistent spin helix in Rashba-Dresselhaus ferroelectric CsBiNb2O7

Carmine Autieri, Paolo Barone, Jagoda Sławińska, and Silvia Picozzi

Phys. Rev. Materials 3, 084416 (2019) - Published 19 August, 2019

In-plane to perpendicular magnetic anisotropy switching in heavily-Fe-doped ferromagnetic semiconductor (Ga,Fe)Sb with high Curie temperature

Shobhit Goel, Le Duc Anh, Nguyen Thanh Tu, Shinobu Ohya, and Masaaki Tanaka

Phys. Rev. Materials 3, 084417 (2019) - Published 23 August, 2019

Machine-learning-assisted prediction of magnetic double perovskites

Anita Halder, Aishwaryo Ghosh, and Tanusri Saha Dasgupta

Phys. Rev. Materials 3, 084418 (2019) - Published 27 August, 2019

Crystal structure and magnetic properties of the layered van der Waals compound VBr3

Tai Kong, Shu Guo, Danrui Ni, and Robert J. Cava

Phys. Rev. Materials 3, 084419 (2019) - Published 29 August, 2019

Tunable perpendicular exchange bias in oxide heterostructures

Gideok Kim, Yury Khaydukov, Martin Bluschke, Y. Eren Suyolcu, Georg Christiani, Kwanghyo Son, Christopher Dietl, Thomas Keller, Eugen Weschke, P. A. van Aken, Gennady Logvenov, and Bernhard Keimer

Phys. Rev. Materials 3, 084420 (2019) - Published 30 August, 2019

Semiconducting materials

Conduction mechanism and shallow donor properties in silicon-doped ɛ-Ga2O3 thin films: An electron paramagnetic resonance study

H. J. von Bardeleben, J. L. Cantin, A. Parisini, A. Bosio, and R. Fornari

Phys. Rev. Materials 3, 084601 (2019) - Published 2 August, 2019

Two-dimensional defect mapping of the SiO2/4HSiC interface

Judith Woerle, Brett C. Johnson, Corrado Bongiorno, Kohei Yamasue, Gabriel Ferro, Dipanwita Dutta, Thomas A. Jung, Hans Sigg, Yasuo Cho, Ulrike Grossner, and Massimo Camarda

Phys. Rev. Materials 3, 084602 (2019) - Published 15 August, 2019

Silicon carbide (SiC) MOSFETs commonly exhibit a high density of oxidation-induced interface defects, hampering both device performance and reliability. Here, the authors present a new approach for two-dimensional defect mapping of the oxide/SiC interface using electron energy loss spectroscopy (EELS), photoluminescence (PL) and local deep-level transient spectroscopy (local-DLTS). A surface reconstruction process leads to an enlargement of characteristic surface features, allowing to directly correlate the local surface roughness of the SiC surface with the quality of the oxide/semiconductor interface. The combined chemical, optical, and electrical analysis reveals a large concentration of electrically and optically active defects for strongly faceted interface regions, whereas improved interface properties are observed when the SiC surface is atomically flat.

Superconducting phase diagram and nontrivial band topology of structurally modulated Sn1xSbx

Bin Liu, Chengcheng Xiao, Qinqing Zhu, Jifeng Wu, Yanwei Cui, Hangdong Wang, Zhicheng Wang, Yunhao Lu, Zhi Ren, and Guang-han Cao

Phys. Rev. Materials 3, 084603 (2019) - Published 19 August, 2019

p-type codoping effect in (Ga,Mn)As: Mn lattice location versus magnetic properties

Chi Xu, Chenhui Zhang, Mao Wang, Yufang Xie, René Hübner, René Heller, Ye Yuan, Manfred Helm, Xixiang Zhang, and Shengqiang Zhou

Phys. Rev. Materials 3, 084604 (2019) - Published 22 August, 2019

Band alignment at surfaces and heterointerfaces of Al2O3, Ga2O3, In2O3, and related group-III oxide polymorphs: A first-principles study

Yoyo Hinuma, Tomoya Gake, and Fumiyasu Oba

Phys. Rev. Materials 3, 084605 (2019) - Published 23 August, 2019

Selective-area chemical beam epitaxy of in-plane InAs one-dimensional channels grown on InP(001), InP(111)B, and InP(011) surfaces

Joon Sue Lee, Sukgeun Choi, Mihir Pendharkar, Daniel J. Pennachio, Brian Markman, Michael Seas, Sebastian Koelling, Marcel A. Verheijen, Lucas Casparis, Karl D. Petersson, Ivana Petkovic, Vanessa Schaller, Mark J. W. Rodwell, Charles M. Marcus, Peter Krogstrup, Leo P. Kouwenhoven, Erik P. A. M. Bakkers, and Chris J. Palmstrøm

Phys. Rev. Materials 3, 084606 (2019) - Published 26 August, 2019

One-dimensional semiconductors with strong spin-orbit coupling have recently gained much attention in the fields of Majorana zero modes and topological quantum computing. The current focus lies on realizing braiding and topological qubits, which require complex nanowire (NW) networks. The authors investigate selective-area growth of in-plane semiconductor NWs for building wafer-scale NW networks. They extensively studied the growth conditions as well as the structural and electrical properties of InAs NWs grown on InP(001), InP(111)B, and InP(110) substrates by chemical beam epitaxy. Low-temperature electrical transport studies suggest that these material systems are suitable for realization of NW networks for topological quantum computing.

Thermal conductivity for III-V and II-VI semiconductor wurtzite and zinc-blende polytypes: The role of anharmonicity and phase space

Martí Raya-Moreno, Riccardo Rurali, and Xavier Cartoixà

Phys. Rev. Materials 3, 084607 (2019) - Published 29 August, 2019

Zr-doped indium oxide electrodes: Annealing and thickness effects on microstructure and carrier transport

Esteban Rucavado, Federica Landucci, Max Döbeli, Quentin Jeangros, Mathieu Boccard, Aïcha Hessler-Wyser, Christophe Ballif, and Monica Morales-Masis

Phys. Rev. Materials 3, 084608 (2019) - Published 29 August, 2019

Superconducting materials

Granular superconductivity and charge/orbital order in YBa2Cu3O7/manganite trilayers

J. Khmaladze, S. Sarkar, M. Soulier, F. Lyzwa, R. de Andres Prada, E. Perret, B. P. P. Mallett, M. Minola, B. Keimer, and C. Bernhard

Phys. Rev. Materials 3, 084801 (2019) - Published 1 August, 2019

Role of atomic coordination on superconducting properties of boron-doped amorphous carbon

Yuki Sakai, James R. Chelikowsky, and Marvin L. Cohen

Phys. Rev. Materials 3, 084802 (2019) - Published 7 August, 2019

Multiple Andreev reflections and Shapiro steps in a Ge-Si nanowire Josephson junction

Joost Ridderbos, Matthias Brauns, Ang Li, Erik P. A. M. Bakkers, Alexander Brinkman, Wilfred G. van der Wiel, and Floris A. Zwanenburg

Phys. Rev. Materials 3, 084803 (2019) - Published 14 August, 2019

Prediction of the fundamental properties of novel Be-B-Ta-based ternary compounds from first-principles calculations

Enamul Haque, Catherine Stampfl, and M. Anwar Hossain

Phys. Rev. Materials 3, 084804 (2019) - Published 19 August, 2019

Atomic-scale coexistence of short-range magnetic order and superconductivity in Fe1+ySe0.1Te0.9

Ramakrishna Aluru, Haibiao Zhou, Antoine Essig, J.-Ph. Reid, Vladimir Tsurkan, Alois Loidl, Joachim Deisenhofer, and Peter Wahl

Phys. Rev. Materials 3, 084805 (2019) - Published 19 August, 2019

Other electronic materials

Strain tuning of plasma frequency in vanadate, niobate, and molybdate perovskite oxides

Arpita Paul and Turan Birol

Phys. Rev. Materials 3, 085001 (2019) - Published 21 August, 2019

Metamaterials, optical, photonic, and plasmonic materials

Transparency and perfect absorption of all-dielectric resonant metasurfaces governed by the transverse Kerker effect

Hadi K. Shamkhi, Andrey Sayanskiy, Adrià Canós Valero, Anton S. Kupriianov, Polina Kapitanova, Yuri S. Kivshar, Alexander S. Shalin, and Vladimir R. Tuz

Phys. Rev. Materials 3, 085201 (2019) - Published 19 August, 2019

Materials for energy harvesting, storage, and generation

Computational prediction of lattice thermal conductivity: A comparison of molecular dynamics and Boltzmann transport approaches

Marcello Puligheddu, Yi Xia, Maria Chan, and Giulia Galli

Phys. Rev. Materials 3, 085401 (2019) - Published 8 August, 2019

High thermoelectric performance in BaAgYTe3 via low lattice thermal conductivity induced by bonding heterogeneity

Koushik Pal, Yi Xia, Jiangang He, and C. Wolverton

Phys. Rev. Materials 3, 085402 (2019) - Published 12 August, 2019

Large thermopower anisotropy in PdCoO2 thin films

P. Yordanov, W. Sigle, P. Kaya, M. E. Gruner, R. Pentcheva, B. Keimer, and H.-U. Habermeier

Phys. Rev. Materials 3, 085403 (2019) - Published 15 August, 2019

The delafossite compound PdCoO2 is composed of highly conducting Pd and insulating CoO2 layers. As a consequence of this lattice architecture, the thermopower of PdCoO2 was predicted to be extremely anisotropic. Because of the limited size of available single crystals, however, these predictions had not been tested experimentally. The authors of this paper show that the electric and thermoelectric transport parameters of PdCoO2 along the main crystallographic directions can be determined from measurements on thin films grown on substrates with different offcut angles. The method is applicable to a wide range of thermoelectric materials. The experimental results confirm the predicted thermopower anisotropy of PdCoO2 and thus provide interesting perspectives for thermoelectric device applications.

Comprehensive study of the low-temperature transport properties of polycrystalline Sn1+xTe (x=0 and 0.03)

Dorra Ibrahim, Christophe Candolfi, Sylvie Migot, Jaafar Ghanbaja, Anne Dauscher, Gérard Le Caër, Bernard Malaman, Christopher Semprimoschnig, and Bertrand Lenoir

Phys. Rev. Materials 3, 085404 (2019) - Published 20 August, 2019

Probing the pseudocapacitance and energy-storage performance of RuO2 facets from first principles

Nathan Keilbart, Yasuaki Okada, and Ismaila Dabo

Phys. Rev. Materials 3, 085405 (2019) - Published 23 August, 2019

Soft, molecular, and amorphous materials

Revisiting the fragile-to-strong crossover in metallic glass-forming liquids: Application to CuxZrxAl1002x alloy

René Alvarez-Donado, Samuel Cajahuaringa, and Alex Antonelli

Phys. Rev. Materials 3, 085601 (2019) - Published 1 August, 2019

Tuning the glass-forming ability of metallic glasses through energetic frustration

Yuan-Chao Hu, Jan Schroers, Mark D. Shattuck, and Corey S. O'Hern

Phys. Rev. Materials 3, 085602 (2019) - Published 14 August, 2019

Temperature dependence of nylon and PTFE triboelectrification

Isaac A. Harris, Melody X. Lim, and Heinrich M. Jaeger

Phys. Rev. Materials 3, 085603 (2019) - Published 14 August, 2019

Experiments pressing two materials together show that static electricity accumulates when surface water lets ions move from one surface to another.

In-depth characterization of annealing-induced restructuring processes of doped organic adlayers

Christian Zwick, Matthias Meissner, Falko Sojka, Roman Forker, and Torsten Fritz

Phys. Rev. Materials 3, 085604 (2019) - Published 19 August, 2019

Measurement of the stiffness of hard-sphere colloidal crystal-liquid interfaces

S. Z. van Loenen, T. E. Kodger, E. A. Padston, S. Nawar, P. Schall, and F. Spaepen

Phys. Rev. Materials 3, 085605 (2019) - Published 19 August, 2019

Nanomaterials

Te incorporation and activation as n-type dopant in self-catalyzed GaAs nanowires

Teemu Hakkarainen, Marcelo Rizzo Piton, Elisabetta Maria Fiordaliso, Egor D. Leshchenko, Sebastian Koelling, Jefferson Bettini, Helder Vinicius Avanço Galeti, Eero Koivusalo, Yara Galvão Gobato, Ariano de Giovanni Rodrigues, Donald Lupo, Paul M. Koenraad, Edson Roberto Leite, Vladimir G. Dubrovskii, and Mircea Guina

Phys. Rev. Materials 3, 086001 (2019) - Published 5 August, 2019

Magnetic configurations of open-shell molecules on metals: The case of CuPc and CoPc on silver

Elisabeth Wruss, Georgia Prokopiou, Leeor Kronik, Egbert Zojer, Oliver T. Hofmann, and David A. Egger

Phys. Rev. Materials 3, 086002 (2019) - Published 30 August, 2019

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