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HIGHLIGHTED ARTICLES

Electrical detection of light helicity using a quantum-dot-based hybrid device at zero magnetic field

F. Cadiz, D. Lagarde, B. Tao, J. Frougier, B. Xu, X. Devaux, S. Migot, Z. G. Wang, X. F. Han, J.-M. George, H. Carrere, A. Balocchi, T. Amand, X. Marie, B. Urbaszek, H. Jaffrès, Y. Lu, and P. Renucci

Phys. Rev. Materials 4, 124603 (2020) - Published 21 December, 2020

Photon helicity-dependent photocurrent is measured at zero magnetic field on a device based on an ensemble of (In,Ga)As/GaAs quantum dots that are embedded into a GaAs-based p-i-n diode. This device can be also operated as a spin light-emitting diode to emit the light with a circular polarization up to 20% at zero magnetic field. The demonstration of the multifunctional capabilities of the device gives valuable insights into the spin relaxation of the electrons in the quantum dots and paves the way for future spin-optoelectronic applications.

REVIEW ARTICLES

Role of fluoride and fluorocarbons in enhanced stability and performance of halide perovskites for photovoltaics

Benjamin M. Lefler, Steven J. May, and Aaron T. Fafarman

Phys. Rev. Materials 4, 120301 (2020) - Published 28 December, 2020

Fluorine is the most electronegative element and its small size and highly polar bonding enable it to play a unique and vital role in many materials. In this Research Update, the authors review the potential for fluorine, when incorporated at interfaces, to address fundamental materials challenges to the stability and photophysical properties of halide perovskites, a burgeoning class of photovoltaic absorber materials. While the halide perovskite electronic structure is considered to be defect-tolerant in the bulk, defects at surfaces and grain boundaries are sites of carrier recombination and phase degradation due to their greater reactivity towards moisture and oxygen. Fluoride and fluorocarbons can directly prevent defects by increasing the bonding strength at grain boundaries as well as by acting as a hydrophobic physicochemical barrier. Less direct benefits are also discussed, such as morphological and cell band alignment improvements. Our discussion covers partial incorporation in the perovskite lattice of fluoride as a halide substitution and substitution of the native cations for fluorocarbon cations, as well as the inclusion of molecular fluorocarbons.

RAPID COMMUNICATIONS

Topological and Dirac materials

Effective spin-mixing conductance of topological-insulator/ferromagnet and heavy-metal/ferromagnet spin-orbit-coupled interfaces: A first-principles Floquet-nonequilibrium Green function approach

Kapildeb Dolui, Utkarsh Bajpai, and Branislav K. Nikolić

Phys. Rev. Materials 4, 121201(R) (2020) - Published 17 December, 2020

Native defects in antiferromagnetic topological insulator MnBi2Te4

Zengle Huang, Mao-Hua Du, Jiaqiang Yan, and Weida Wu

Phys. Rev. Materials 4, 121202(R) (2020) - Published 21 December, 2020

Semiconducting materials

NH3 on anatase TiO2(101): Diffusion mechanisms and the effect of intermolecular repulsion

Kræn C. Adamsen, Esben L. Kolsbjerg, Stig Koust, Lutz Lammich, Bjørk Hammer, Stefan Wendt, and Jeppe V. Lauritsen

Phys. Rev. Materials 4, 121601(R) (2020) - Published 1 December, 2020

Superconducting materials

Phase diagram of infinite layer praseodymium nickelate Pr1−xSrxNiO2 thin films

Motoki Osada, Bai Yang Wang, Kyuho Lee, Danfeng Li, and Harold Y. Hwang

Phys. Rev. Materials 4, 121801(R) (2020) - Published 15 December, 2020

Other electronic materials

g-factors in LaAlO3/SrTiO3 quantum dots

Anders V. Bjørlig, Damon J. Carrad, Guenevere E. D. K. Prawiroatmodjo, Merlin von Soosten, Yulin Gan, Yunzhong Chen, Nini Pryds, Jens Paaske, and Thomas S. Jespersen

Phys. Rev. Materials 4, 122001(R) (2020) - Published 3 December, 2020

ARTICLES

Crystal growth, crystallization, and kinetics

Bijvoet pair's intensity ratio: Convergence of kinematic and dynamical diffraction

Xian-Rong Huang, Lahsen Assoufid, Ru-Wen Peng, Albert T. Macrander, Thomas Gog, and Jungho Kim

Phys. Rev. Materials 4, 123401 (2020) - Published 1 December, 2020

Sputter-engineering a first-order magnetic phase transition in sub-15-nm-thick single-crystal FeRh films

L. Benito, L. Clark, T. P. Almeida, T. A. Moore, D. McGrouther, S. McVitie, and C. H. Marrows

Phys. Rev. Materials 4, 123402 (2020) - Published 3 December, 2020

Controlling facets and defects of InP nanostructures in confined epitaxial lateral overgrowth

Aranya Goswami, Simone T. Šuran Brunelli, Brian Markman, Aidan A. Taylor, Hsin-Ying Tseng, Kunal Mukherjee, Mark Rodwell, Jonathan Klamkin, and Chris J. Palmstrøm

Phys. Rev. Materials 4, 123403 (2020) - Published 9 December, 2020

Behavior of cation vacancies in single-crystal and in thin-film SrTiO3: The importance of strontium vacancies and their defect associates

U. N. Gries, M. Kessel, F. V. E. Hensling, R. Dittmann, M. Martin, and R. A. De Souza

Phys. Rev. Materials 4, 123404 (2020) - Published 14 December, 2020

Structural and mechanical properties

Interstitial carbon in bcc HfNbTiVZr high-entropy alloy from first principles

Luis Casillas-Trujillo, Ulf Jansson, Martin Sahlberg, Gustav Ek, Magnus M. Nygård, Magnus H. Sørby, Bjørn C. Hauback, Igor A. Abrikosov, and Björn Alling

Phys. Rev. Materials 4, 123601 (2020) - Published 2 December, 2020

Evolution of microstructure and variations in mechanical properties accompanied with diffusionless isothermal ω transformation in β-titanium alloys

Norihiko L. Okamoto, Shuhei Kasatani, Martin Luckabauer, Robert Enzinger, Satoshi Tsutsui, Masakazu Tane, and Tetsu Ichitsubo

Phys. Rev. Materials 4, 123603 (2020) - Published 9 December, 2020

Prediction of LinCd compounds with unusual stoichiometry and valence states

Han Liu, Jianyun Wang, Quan Li, and Changfeng Chen

Phys. Rev. Materials 4, 123604 (2020) - Published 14 December, 2020

Role of the interface in controlling the epitaxial relationship between orthorhombic LaInO3 and cubic BaSnO3

Martina Zupancic, Wahib Aggoune, Toni Markurt, Youjung Kim, Young Mo Kim, Kookrin Char, Claudia Draxl, and Martin Albrecht

Phys. Rev. Materials 4, 123605 (2020) - Published 22 December, 2020

Role of sessile disconnection dipoles in shear-coupled grain boundary migration

M. Larranaga, F. Mompiou, M. Legros, and N. Combe

Phys. Rev. Materials 4, 123606 (2020) - Published 28 December, 2020

Application of machine learning potentials to predict grain boundary properties in fcc elemental metals

Takayuki Nishiyama, Atsuto Seko, and Isao Tanaka

Phys. Rev. Materials 4, 123607 (2020) - Published 29 December, 2020

Development of new methods for materials

Hierarchical morphologies in co-sputter deposited thin films

Max Powers, Benjamin Derby, Sudeep Nerlige Manjunath, and Amit Misra

Phys. Rev. Materials 4, 123801 (2020) - Published 17 December, 2020

CRYSPNet: Crystal structure predictions via neural networks

Haotong Liang, Valentin Stanev, A. Gilad Kusne, and Ichiro Takeuchi

Phys. Rev. Materials 4, 123802 (2020) - Published 18 December, 2020

Two-dimensional materials

Energy scales in 4f1 delafossite magnets: Crystal-field splittings larger than the strength of spin-orbit coupling in KCeO2

M. S. Eldeeb, T. Petersen, L. Hozoi, V. Yushankhai, and U. K. Rößler

Phys. Rev. Materials 4, 124001 (2020) - Published 4 December, 2020

Structure of graphene and a surface carbide grown on the (0001) surface of rhenium

Estelle Mazaleyrat, Monica Pozzo, Dario Alfè, Alexandre Artaud, Ana Cristina Gómez Herrero, Simone Lisi, Valérie Guisset, Philippe David, Claude Chapelier, and Johann Coraux

Phys. Rev. Materials 4, 124002 (2020) - Published 8 December, 2020

Designing xenes with two-dimensional triangular lattice

Xu Duan, Zhao Liu, Brendan M. Hanrahan, Wei Zhu, and Shi Liu

Phys. Rev. Materials 4, 124003 (2020) - Published 10 December, 2020

Monomeric two-dimensionally ordered WO3 clusters on anatase TiO2(101)

Tao Xu, Kræn C. Adamsen, Hanne Falsig, Søren B. Rasmussen, Zheshen Li, Stefan Wendt, and Jeppe V. Lauritsen

Phys. Rev. Materials 4, 124004 (2020) - Published 16 December, 2020

Growth and stability of Pb intercalated phases under graphene on SiC

S. Chen, P. A. Thiel, E. Conrad, and M. C. Tringides

Phys. Rev. Materials 4, 124005 (2020) - Published 17 December, 2020

Effects of alloying on in-plane thermal conductivity and thermal boundary conductance in transition metal dichalcogenide monolayers

Cameron J. Foss and Zlatan Aksamija

Phys. Rev. Materials 4, 124006 (2020) - Published 29 December, 2020

First-principles prediction of enhanced thermoelectric properties of double transition metal MXenes: Ti3−xMoxC2T2;(x=0.5,1,1.5,2,2.5,T=−OH/−O/−F)

Shiladitya Karmakar and Tanusri Saha-Dasgupta

Phys. Rev. Materials 4, 124007 (2020) - Published 30 December, 2020

Topological and Dirac materials

Relaxation dynamics of the optically driven nonequilibrium states in the electron- and hole-doped topological-insulator materials (Bi1−xSbx)2Te3

Chris Reinhoffer, Yu Mukai, Semyon Germanskiy, Andrea Bliesener, Gertjan Lippertz, Anjana Uday, A. A. Taskin, Yoichi Ando, Zhe Wang, and Paul H. M. van Loosdrecht

Phys. Rev. Materials 4, 124201 (2020) - Published 1 December, 2020

Polymorphic PtBi2: Growth, structure, and superconducting properties

G. Shipunov, I. Kovalchuk, B. R. Piening, V. Labracherie, A. Veyrat, D. Wolf, A. Lubk, S. Subakti, R. Giraud, J. Dufouleur, S. Shokri, F. Caglieris, C. Hess, D. V. Efremov, B. Büchner, and S. Aswartham

Phys. Rev. Materials 4, 124202 (2020) - Published 3 December, 2020

Topological electronic structure and Weyl points in nonsymmorphic hexagonal materials

Rafael González-Hernández, Erick Tuiran, and Bernardo Uribe

Phys. Rev. Materials 4, 124203 (2020) - Published 28 December, 2020

Pressure effect on the topologically nontrivial electronic state and transport of lutecium monobismuthide

H. Gu, F. Tang, Y.-R. Ruan, J.-M. Zhang, R.-J. Tang, W. Zhao, R. Zhao, L. Zhang, Z.-D. Han, B. Qian, X.-F. Jiang, and Y. Fang

Phys. Rev. Materials 4, 124204 (2020) - Published 29 December, 2020

Tunable spin Hall and spin Nernst effects in Dirac line-node semimetals XCuYAs (X=Zr,Hf; Y=Si,Ge)

Babu Baijnath Prasad and Guang-Yu Guo

Phys. Rev. Materials 4, 124205 (2020) - Published 29 December, 2020

Magnetic, ferroelectric, and multiferroic materials

Ferroelectric-driven tunable magnetism in ultrathin platinum films

Qilong Sun, Farzad Mahfouzi, Julian P. Velev, Evgeny Y. Tsymbal, and Nicholas Kioussis

Phys. Rev. Materials 4, 124401 (2020) - Published 2 December, 2020

Understanding gray track formation in KTP: Ti3+ centers studied from first principles

A. Bocchini, C. Eigner, C. Silberhorn, W. G. Schmidt, and U. Gerstmann

Phys. Rev. Materials 4, 124402 (2020) - Published 4 December, 2020

Epitaxial integration of improper ferroelectric hexagonal YMnO3 thin films in heterostructures

J. Nordlander, M. D. Rossell, M. Campanini, M. Fiebig, and M. Trassin

Phys. Rev. Materials 4, 124403 (2020) - Published 7 December, 2020

Large anisotropic magnetocaloric effect in all-sputtered epitaxial terbium thin films

Mohammed Salah El Hadri, Vincent Polewczyk, Yuxuan Xiao, Stéphane Mangin, and Eric Fullerton

Phys. Rev. Materials 4, 124404 (2020) - Published 10 December, 2020

Defect engineering for nontrivial multiferroic orders in SrTiO3

Tao Xu, Takahiro Shimada, Masataka Mori, Gen Fujimoto, Jie Wang, and Takayuki Kitamura

Phys. Rev. Materials 4, 124405 (2020) - Published 14 December, 2020

Site-specific structure at multiple length scales in kagome quantum spin liquid candidates

Rebecca W. Smaha, Idris Boukahil, Charles J. Titus, Jack Mingde Jiang, John P. Sheckelton, Wei He, Jiajia Wen, John Vinson, Suyin Grass Wang, Yu-Sheng Chen, Simon J. Teat, Thomas P. Devereaux, C. Das Pemmaraju, and Young S. Lee

Phys. Rev. Materials 4, 124406 (2020) - Published 14 December, 2020

Structural, electronic, and magnetic properties of nearly ideal Jeff=12 iridium halides

D. Reig-i-Plessis, T. A. Johnson, K. Lu, Q. Chen, J. P. C. Ruff, M. H. Upton, T. J. Williams, S. Calder, H. D. Zhou, J. P. Clancy, A. A. Aczel, and G. J. MacDougall

Phys. Rev. Materials 4, 124407 (2020) - Published 17 December, 2020

Interface phenomena in ferromagnet/TaOx-based systems: Damping, perpendicular magnetic anisotropy, and Dzyaloshinskii-Moriya interaction

I. Benguettat-El Mokhtari, Y. Roussigné, S. M. Chérif, A. Stashkevich, S. Auffret, C. Baraduc, M. Gabor, H. Béa, and M. Belmeguenai

Phys. Rev. Materials 4, 124408 (2020) - Published 21 December, 2020

Semiconducting materials

Interfacial electronic states of misfit heterostructure between hexagonal ZnO and cubic NiO

Yaping Li, Hui-Qiong Wang, Kurash Ibrahim, Jia-Ou Wang, Rui Wu, Hai-Jie Qian, Huanhua Wang, Tao Lei, Zhiqiang Wang, Xiaojun Li, Meng Wu, Jin-Cheng Zheng, Junyong Kang, Lihua Zhang, Kim Kisslinger, Lijun Wu, and Yimei Zhu

Phys. Rev. Materials 4, 124601 (2020) - Published 9 December, 2020

Plasma-assisted molecular beam epitaxy of SnO(001) films: Metastability, hole transport properties, Seebeck coefficient, and effective hole mass

Melanie Budde, Piero Mazzolini, Johannes Feldl, Christian Golz, Takahiro Nagata, Shigenori Ueda, Georg Hoffmann, Fariba Hatami, W. Ted Masselink, Manfred Ramsteiner, and Oliver Bierwagen

Phys. Rev. Materials 4, 124602 (2020) - Published 16 December, 2020

Electrical detection of light helicity using a quantum-dot-based hybrid device at zero magnetic field

F. Cadiz, D. Lagarde, B. Tao, J. Frougier, B. Xu, X. Devaux, S. Migot, Z. G. Wang, X. F. Han, J.-M. George, H. Carrere, A. Balocchi, T. Amand, X. Marie, B. Urbaszek, H. Jaffrès, Y. Lu, and P. Renucci

Phys. Rev. Materials 4, 124603 (2020) - Published 21 December, 2020

Photon helicity-dependent photocurrent is measured at zero magnetic field on a device based on an ensemble of (In,Ga)As/GaAs quantum dots that are embedded into a GaAs-based p-i-n diode. This device can be also operated as a spin light-emitting diode to emit the light with a circular polarization up to 20% at zero magnetic field. The demonstration of the multifunctional capabilities of the device gives valuable insights into the spin relaxation of the electrons in the quantum dots and paves the way for future spin-optoelectronic applications.

Surface photovoltaic effect and electronic structure of β-InSe

L. Kang, L. Shen, Y. J. Chen, S. C. Sun, X. Gu, H. J. Zheng, Z. K. Liu, J. X. Wu, H. L. Peng, F. W. Zheng, P. Zhang, L. X. Yang, and Y. L. Chen

Phys. Rev. Materials 4, 124604 (2020) - Published 28 December, 2020

Superconducting materials

Homogeneous superconducting gap in DyBa2Cu3O7−δ synthesized by oxide molecular beam epitaxy

Ze-Bin Wu, Daniel Putzky, Asish K. Kundu, Hui Li, Shize Yang, Zengyi Du, Sang Hyun Joo, Jinho Lee, Yimei Zhu, Gennady Logvenov, Bernhard Keimer, Kazuhiro Fujita, Tonica Valla, Ivan Božović, and Ilya K. Drozdov

Phys. Rev. Materials 4, 124801 (2020) - Published 3 December, 2020

Superconductivity and phase separation in electrochemically hydrogenized K1−δCr3As3Hx

Jin-Jin Xiang, Ye-Ting Shao, Yan-Wei Cui, Lin-Peng Nie, Si-Qi Wu, Bai-Zhuo Li, Zhi Ren, Tao Wu, and Guang-Han Cao

Phys. Rev. Materials 4, 124802 (2020) - Published 15 December, 2020

Quasi-two-dimensional superconductivity in SnSe2 via organic ion intercalation

L. K. Ma, M. Z. Shi, B. L. Kang, K. L. Peng, F. B. Meng, C. S. Zhu, J. H. Cui, Z. L. Sun, D. H. Ma, H. H. Wang, B. Lei, T. Wu, and X. H. Chen

Phys. Rev. Materials 4, 124803 (2020) - Published 17 December, 2020

Completely polarized eg orbitals realized in d7−Ni3+ based heterointerface

Ce Ji, Gang Wu, Shuowang Yang, Gang Wu, and Xiaoping Yang

Phys. Rev. Materials 4, 124804 (2020) - Published 22 December, 2020

Other electronic materials

Investigating the ranges of (meta)stable phase formation in (InxGa1−x)2O3: Impact of the cation coordination

C. Wouters, C. Sutton, L. M. Ghiringhelli, T. Markurt, R. Schewski, A. Hassa, H. von Wenckstern, M. Grundmann, M. Scheffler, and M. Albrecht

Phys. Rev. Materials 4, 125001 (2020) - Published 4 December, 2020

Tailoring interfacial properties in CaVO3 thin films and heterostructures with SrTiO3 and LaAlO3: A DFT+DMFT study

Sophie Beck and Claude Ederer

Phys. Rev. Materials 4, 125002 (2020) - Published 10 December, 2020

Controllable synthesis and electronic structure characterization of multiple phases of iron telluride thin films

Zhimo Zhang, Min Cai, Rui Li, Fanqi Meng, Qinghua Zhang, Lin Gu, Zijin Ye, Gang Xu, Ying-Shuang Fu, and Wenhao Zhang

Phys. Rev. Materials 4, 125003 (2020) - Published 29 December, 2020

Metamaterials, optical, photonic, and plasmonic materials

Photoelasticity of VO2 nanolayers in insulating and metallic phases studied by picosecond ultrasonics

Ia. A. Mogunov, S. Lysenko, F. Fernández, A. Rúa, A. V. Muratov, A. J. Kent, A. M. Kalashnikova, and A. V. Akimov

Phys. Rev. Materials 4, 125201 (2020) - Published 14 December, 2020

Constructive and destructive interference of Kerker-type scattering in an ultrathin silicon Huygens metasurface

Xia Zhang, Jing Li, John F. Donegan, and A. Louise Bradley

Phys. Rev. Materials 4, 125202 (2020) - Published 29 December, 2020

Materials for energy harvesting, storage, and generation

Electric energy dissipation and electric tortuosity in electron conductive cement-based materials

Nancy A. Soliman, Nicolas Chanut, Vincent Deman, Zoe Lallas, and Franz-Josef Ulm

Phys. Rev. Materials 4, 125401 (2020) - Published 9 December, 2020

Beryllium polyhydride Be4H8(H2)2 synthesized at high pressure and temperature

Takahiro Matsuoka, Hiroshi Fujihisa, Takahiro Ishikawa, Takaya Nakagawa, Keiji Kuno, Naohisa Hirao, Yasuo Ohishi, Katsuya Shimizu, and Shigeo Sasaki

Phys. Rev. Materials 4, 125402 (2020) - Published 21 December, 2020

Face-to-face annealed sputtered BaSi2: Investigations on surface homogeneity, film properties, and annealing mechanisms

Yilei Tian, Miro Zeman, and Olindo Isabella

Phys. Rev. Materials 4, 125403 (2020) - Published 29 December, 2020

Soft, molecular, and amorphous materials

Correlated disorder in a model binary glass through a local SU(2) bonding topology

P. M. Derlet

Phys. Rev. Materials 4, 125601 (2020) - Published 14 December, 2020

Revealing the mechanism of carrier transport in host-guest systems of organic materials with a modified Poisson and drift-diffusion solver

Jun-Yu Huang, Jiun-Haw Lee, Yuh-Renn Wu, Tse-Ying Chen, Yu-Cheng Chiu, Jau-Jiun Huang, Man-kit Leung, and Tien-Lung Chiu

Phys. Rev. Materials 4, 125602 (2020) - Published 17 December, 2020

Nanomaterials

Structural, vibrational, and magnetic properties of self-assembled CoPt nanoalloys embedded in SrTiO3

M. Hennes, E. Fonda, N. Casaretto, J. Buchwald, X. Weng, G. Patriarche, D. Demaille, Y. Zheng, and F. Vidal

Phys. Rev. Materials 4, 126001 (2020) - Published 15 December, 2020

Fluorescence intermittency and spatial localization of core-shell quantum rod clusters in an inverse nematic gel

Neha B. Topnani, Prutha Nagaraja, Igor Musevic, and Pratibha Ramarao

Phys. Rev. Materials 4, 126002 (2020) - Published 22 December, 2020

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