Volume 2, Issue 6

June 2018

Browse Issues:

HIGHLIGHTED ARTICLES

FEATURED IN PHYSICS

EDITORS' SUGGESTION

Co/Ni multilayers for spintronics: High spin polarization and tunable magnetic anisotropy

S. Andrieu, T. Hauet, M. Gottwald, A. Rajanikanth, L. Calmels, A. M. Bataille, F. Montaigne, S. Mangin, E. Otero, P. Ohresser, P. Le Fèvre, F. Bertran, A. Resta, A. Vlad, A. Coati, and Y. Garreau

Phys. Rev. Materials 2, 064410 (2018) - Published 27 June, 2018

In spintronics, magnetic materials with specific properties such as high spin polarization, perpendicular magnetic anisotropy, and low magnetic damping are needed to optimize devices based on spin-transfer-torque and related phenomena. Here, the authors show by spin-resolved photoemission that almost full spin polarization at room temperature is obtained in Co/Ni(111) superlattices with perpendicular magnetic anisotropy. These properties are shown to be linked to the large spin and magnetic moments reached by Co in contact with Ni along the (111) hexagonal interface lattice, a result not explained yet by ab initio calculations.

EDITORS' SUGGESTION

RAPID COMMUNICATION

Universal description of III-V/Si epitaxial growth processes

I. Lucci, S. Charbonnier, L. Pedesseau, M. Vallet, L. Cerutti, J.-B. Rodriguez, E. Tournié, R. Bernard, A. Létoublon, N. Bertru, A. Le Corre, S. Rennesson, F. Semond, G. Patriarche, L. Largeau, P. Turban, A. Ponchet, and C. Cornet

Phys. Rev. Materials 2, 060401(R) (2018) - Published 12 June, 2018

In the context of advanced photonics or photovoltaics, the monolithic integration of high-quality III-V materials as near as possible to the Si substrate is of great interest. Here, the authors experimentally and theoretically clarify the III-V/Si crystal growth processes. Monodomain 3D islands are observed at the early stages of AlSb, AlN, and GaP epitaxy on Si, independently of the misfit. It is shown that complete III-V/Si wetting cannot be achieved in most III-V/Si systems. Surface/interface contributions to the free energy variations are found to be prominent over strain relief processes. They also propose a general and unified description of III-V/Si growth processes, including the description of antiphase boundaries formation.

EDITORS' SUGGESTION

Modeling lithium-ion solid-state electrolytes with a pinball model

Leonid Kahle, Aris Marcolongo, and Nicola Marzari

Phys. Rev. Materials 2, 065405 (2018) - Published 20 June, 2018

New solid-state lithium-ionic conductors can lead to significant improvements in the safety and performance of Li-ion batteries, but current modeling approaches based on first-principles methods can be exceedingly expensive for screening purposes. By applying some simple, physically motivated approximations to density functional theory, the authors obtain a hybrid quantum-mechanical/classical model that can tackle the time and scale limitations of full first-principles methods while retaining the accuracy needed to model reliably the dynamics of lithium ions in common solid-state host structures. They show this for different known ionic conductors, while also clarifying the role of host-lattice vibrations for Li-ionic transport in some test cases.

RAPID COMMUNICATIONS

Crystal growth, crystallization, and kinetics

EDITORS' SUGGESTION

RAPID COMMUNICATION

Universal description of III-V/Si epitaxial growth processes

Phys. Rev. Materials 2, 060401(R) (2018) - Published 12 June, 2018

RAPID COMMUNICATION

Surface-dependent formation of Zn clusters in ZnO single crystals by electron irradiation

Shuangfeng Jia, Lei Li, Lulu Zhao, He Zheng, Peili Zhao, Xiaoxi Guan, Guoxujia Chen, Jiangbing Wu, Siyuan Zhou, and Jianbo Wang

Phys. Rev. Materials 2, 060402(R) (2018) - Published 19 June, 2018

RAPID COMMUNICATION

Identification of a functional point defect in $SrTi O_{3}$

Daesu Lee, Hongwei Wang, Brenton A. Noesges, Thaddeus J. Asel, Jinbo Pan, Jung-Woo Lee, Qimin Yan, Leonard J. Brillson, Xifan Wu, and Chang-Beom Eom

Phys. Rev. Materials 2, 060403(R) (2018) - Published 21 June, 2018

RAPID COMMUNICATION

Single-crystal high entropy perovskite oxide epitaxial films

Yogesh Sharma, Brianna L. Musico, Xiang Gao, Chengyun Hua, Andrew F. May, Andreas Herklotz, Ankur Rastogi, David Mandrus, Jiaqiang Yan, Ho Nyung Lee, Matthew F. Chisholm, Veerle Keppens, and T. Zac Ward

Phys. Rev. Materials 2, 060404(R) (2018) - Published 27 June, 2018

Soft, molecular, and amorphous materials

RAPID COMMUNICATION

Modeling the universal viscoelastic response of polymer fibers

Aakash Sharma, Guruswamy Kumaraswamy, and Shirish Thakre

Phys. Rev. Materials 2, 062601(R) (2018) - Published 20 June, 2018

ARTICLES

Crystal growth, crystallization, and kinetics

Formation and morphological evolution of self-similar 3D nanostructures on weakly interacting substrates

B. Lü, G. A. Almyras, V. Gervilla, J. E. Greene, and K. Sarakinos

Phys. Rev. Materials 2, 063401 (2018) - Published 14 June, 2018

Kagome quantum spin systems in the atacamite family

Pascal Puphal, Katharina M. Zoch, Joy Désor, Michael Bolte, and Cornelius Krellner

Phys. Rev. Materials 2, 063402 (2018) - Published 29 June, 2018

Structural and mechanical properties

Correlation between the viscoelastic heterogeneity and the domain wall motion of Fe-based metallic glass

S. Ouyang, L. J. Song, Y. H. Liu, J. T. Huo, J. Q. Wang, W. Xu, J. L. Li, C. T. Wang, X. M. Wang, and R. W. Li

Phys. Rev. Materials 2, 063601 (2018) - Published 1 June, 2018

Multiphysics model of chemical aging in frictional contacts

Zhuohan Li and Izabela Szlufarska

Phys. Rev. Materials 2, 063602 (2018) - Published 15 June, 2018

Combining high hardness and crack resistance in mixed network glasses through high-temperature densification

Saurabh Kapoor, Kacper Januchta, Randall E. Youngman, Xiaoju Guo, John C. Mauro, Mathieu Bauchy, Sylwester J. Rzoska, Michal Bockowski, Lars R. Jensen, and Morten M. Smedskjaer

Phys. Rev. Materials 2, 063603 (2018) - Published 21 June, 2018

Strain fields in repulsive colloidal crystals

Bryan VanSaders, Julia Dshemuchadse, and Sharon C. Glotzer

Phys. Rev. Materials 2, 063604 (2018) - Published 22 June, 2018

Distortion modes in halide perovskites: To twist or to stretch, a matter of tolerance and lone pairs

Santosh Kumar Radha, Churna Bhandari, and Walter R. L. Lambrecht

Phys. Rev. Materials 2, 063605 (2018) - Published 25 June, 2018

Icosahedral superstrength at the nanoscale

Cody Kunka, Xiaokun Yang, Qi An, and Ghatu Subhash

Phys. Rev. Materials 2, 063606 (2018) - Published 27 June, 2018

Defect landscape and electrical properties in solution-derived $LaNi O_{3}$ and $NdNi O_{3}$ epitaxial thin films

B. Mundet, J. Jareño, J. Gazquez, M. Varela, X. Obradors, and T. Puig

Phys. Rev. Materials 2, 063607 (2018) - Published 27 June, 2018

Vibrational and dielectric properties of the bulk transition metal dichalcogenides

Nicholas A. Pike, Antoine Dewandre, Benoit Van Troeye, Xavier Gonze, and Matthieu J. Verstraete

Phys. Rev. Materials 2, 063608 (2018) - Published 28 June, 2018

Development of new methods for materials

Performance of the strongly constrained and appropriately normed density functional for solid-state materials

Eric B. Isaacs and Chris Wolverton

Phys. Rev. Materials 2, 063801 (2018) - Published 22 June, 2018

Implications of heterostructural alloying for enhanced piezoelectric performance of (Al,Sc)N

Kevin R. Talley, Samantha L. Millican, John Mangum, Sebastian Siol, Charles B. Musgrave, Brian Gorman, Aaron M. Holder, Andriy Zakutayev, and Geoff L. Brennecka

Phys. Rev. Materials 2, 063802 (2018) - Published 29 June, 2018

Two-dimensional materials

Experimental and theoretical electronic structure and symmetry effects in ultrathin ${NbSe}_{2}$ films

Cai-Zhi Xu, Xiaoxiong Wang, Peng Chen, David Flötotto, Joseph Andrew Hlevyack, Meng-Kai Lin, Guang Bian, Sung-Kwan Mo, and Tai-Chang Chiang

Phys. Rev. Materials 2, 064002 (2018) - Published 20 June, 2018

Effect of a pick-and-drop process on optical properties of a CVD-grown monolayer tungsten disulfide

Yusuke Hoshi, Mitsuhiro Okada, Rai Moriya, Satoru Masubuchi, Kenji Watanabe, Takashi Taniguchi, Ryo Kitaura, and Tomoki Machida

Phys. Rev. Materials 2, 064003 (2018) - Published 22 June, 2018

Linearly aligned single-chiral vortices in hexagonal manganites by $in situ$ electric arc heating

Myung-Geun Han, Jun Li, Fei Xue, Xueyun Wang, Qing-Ping Meng, Jing Tao, Long-Qing Chen, Sang-Wook Cheong, and Yimei Zhu

Phys. Rev. Materials 2, 064004 (2018) - Published 26 June, 2018

Anisotropic thermal transport in bulk hexagonal boron nitride

Puqing Jiang, Xin Qian, Ronggui Yang, and Lucas Lindsay

Phys. Rev. Materials 2, 064005 (2018) - Published 26 June, 2018

Magnetic, ferroelectric, and multiferroic materials

Magnetophononics: Ultrafast spin control through the lattice

M. Fechner, A. Sukhov, L. Chotorlishvili, C. Kenel, J. Berakdar, and N. A. Spaldin

Phys. Rev. Materials 2, 064401 (2018) - Published 4 June, 2018

Modified cantilevers to probe unambiguously out-of-plane piezoresponse

Natalia Alyabyeva, Aimeric Ouvrard, Ionela Lindfors-Vrejoiu, Alexey Kolomiytsev, Maxim Solodovnik, Oleg Ageev, and Damien McGrouther

Phys. Rev. Materials 2, 064402 (2018) - Published 4 June, 2018

Manipulation of electronic phases in Au-nanodots-decorated manganite films by laser illumination

Hui Li, Kaixuan Zhang, Dongli Wang, Han Xu, Haibiao Zhou, Xiaodong Fan, Guanghui Cheng, Long Cheng, Qingyou Lu, Lin Li, and Changgan Zeng

Phys. Rev. Materials 2, 064403 (2018) - Published 6 June, 2018

Antiferromagnetic defect structure in $LaNi O_{3 - δ}$ single crystals

Bi-Xia Wang, S. Rosenkranz, X. Rui, Junjie Zhang, F. Ye, H. Zheng, R. F. Klie, J. F. Mitchell, and D. Phelan

Phys. Rev. Materials 2, 064404 (2018) - Published 12 June, 2018

Spin-singlet formation in the spin-tetramer layered organic-inorganic hybrid ${CH}_{3} {NH}_{3} {Cu}_{2} {Cl}_{5}$

Machteld E. Kamminga, Maria Azhar, Julian Zeisner, Anna M. C. Maan, Bernd Büchner, Vladislav Kataev, Jacob Baas, Graeme R. Blake, Maxim Mostovoy, and Thomas T. M. Palstra

Phys. Rev. Materials 2, 064405 (2018) - Published 18 June, 2018

Periodic chiral magnetic domains in single-crystal nickel nanowires

Jimmy J. Kan, Marko V. Lubarda, Keith T. Chan, Vojtěch Uhlíř, Andreas Scholl, Vitaliy Lomakin, and Eric E. Fullerton

Phys. Rev. Materials 2, 064406 (2018) - Published 18 June, 2018

Real-space magnetic imaging of the multiferroic spinels ${MnV}_{2} O_{4}$ and ${Mn}_{3} O_{4}$

B. Wolin, X. Wang, T. Naibert, S. L. Gleason, G. J. MacDougall, H. D. Zhou, S. L. Cooper, and R. Budakian

Phys. Rev. Materials 2, 064407 (2018) - Published 22 June, 2018

Large enhancement of spin-orbit torques in Pd/CoFeB: The role of boron

Po-Chuan Chen, Yuanmin Du, Bo-Yuan Yang, Po-Hung Lin, Guang-Yu Guo, Mahendra Pakala, and Chih-Huang Lai

Phys. Rev. Materials 2, 064408 (2018) - Published 22 June, 2018

Oxygen vacancy formation energies in ${PbTiO}_{3} / {SrTiO}_{3}$ superlattice

Lipeng Zhang, Isaac Bredeson, Axiel Y. Birenbaum, P. R. C. Kent, Valentino R. Cooper, P. Ganesh, and Haixuan Xu

Phys. Rev. Materials 2, 064409 (2018) - Published 25 June, 2018

FEATURED IN PHYSICS

EDITORS' SUGGESTION

Co/Ni multilayers for spintronics: High spin polarization and tunable magnetic anisotropy

S. Andrieu, T. Hauet, M. Gottwald, A. Rajanikanth, L. Calmels, A. M. Bataille, F. Montaigne, S. Mangin, E. Otero, P. Ohresser, P. Le Fèvre, F. Bertran, A. Resta, A. Vlad, A. Coati, and Y. Garreau

Phys. Rev. Materials 2, 064410 (2018) - Published 27 June, 2018

Enhanced spin polarization of amorphous $F e_{x} S i_{1 - x}$ thin films revealed by Andreev reflection spectroscopy

J. Karel, D. S. Bouma, J. Martinez, Y. N. Zhang, J. A. Gifford, J. Zhang, G. J. Zhao, D. R. Kim, B. C. Li, Z. Y. Huang, R. Q. Wu, T. Y. Chen, and F. Hellman

Phys. Rev. Materials 2, 064411 (2018) - Published 27 June, 2018

Large low-field magnetic refrigeration in ferromagnetic insulator ${EuTi}_{0.9} V_{0.1} O_{3}$

S. Roy, M. Das, and P. Mandal

Phys. Rev. Materials 2, 064412 (2018) - Published 29 June, 2018

Semiconducting materials

Microscopic origins of charge transport in triphenylene systems

Ian R. Thompson, Mary K. Coe, Alison B. Walker, Matteo Ricci, Otello M. Roscioni, and Claudio Zannoni

Phys. Rev. Materials 2, 064601 (2018) - Published 5 June, 2018

Intrinsic point defects and intergrowths in layered bismuth triiodide

Sung Beom Cho, Jaume Gazquez, Xing Huang, Yoon Myung, Parag Banerjee, and Rohan Mishra

Phys. Rev. Materials 2, 064602 (2018) - Published 7 June, 2018

Materials considerations for forming the topological insulator phase in InAs/GaSb heterostructures

B. Shojaei, A. P. McFadden, M. Pendharkar, J. S. Lee, M. E. Flatté, and C. J. Palmstrøm

Phys. Rev. Materials 2, 064603 (2018) - Published 11 June, 2018

Mobility and quantum mobility of modern GaAs/AlGaAs heterostructures

M. Sammon, M. A. Zudov, and B. I. Shklovskii

Phys. Rev. Materials 2, 064604 (2018) - Published 22 June, 2018

Exciton-polaron spectral structures in two-dimensional hybrid lead-halide perovskites

Stefanie Neutzner, Félix Thouin, Daniele Cortecchia, Annamaria Petrozza, Carlos Silva, and Ajay Ram Srimath Kandada

Phys. Rev. Materials 2, 064605 (2018) - Published 29 June, 2018

Rashba-driven anomalous Nernst conductivity of high spin-orbit-coupled lead chalcogenide films

Parijat Sengupta and Junxia Shi

Phys. Rev. Materials 2, 064606 (2018) - Published 29 June, 2018

First-principles calculations of threading screw dislocations in AlN and InN

L. Pizzagalli, I. Belabbas, J. Kioseoglou, and J. Chen

Phys. Rev. Materials 2, 064607 (2018) - Published 29 June, 2018

Other electronic materials

Role of spin-orbit coupling in the electronic structure of $Ir O_{2}$

Pranab Kumar Das, Jagoda Sławińska, Ivana Vobornik, Jun Fujii, Anna Regoutz, Juhan M. Kahk, David O. Scanlon, Benjamin J. Morgan, Cormac McGuinness, Evgeny Plekhanov, Domenico Di Sante, Ying-Sheng Huang, Ruei-San Chen, Giorgio Rossi, Silvia Picozzi, William R. Branford, Giancarlo Panaccione, and David J. Payne

Phys. Rev. Materials 2, 065001 (2018) - Published 4 June, 2018

Origin of interfacial conductivity at complex oxide heterointerfaces: Possibility of electron transfer from water chemistry at surface oxygen vacancies

Meng Zhang, Zheng Chen, Baohua Mao, Qingtian Li, Hai Bo, Tianshuang Ren, Pimo He, Zhi Liu, and Yanwu Xie

Phys. Rev. Materials 2, 065002 (2018) - Published 22 June, 2018

Mott variable range hopping and bad-metal in lightly doped spin-orbit Mott insulator $BaIr O_{3}$

H. J. Harsan Ma, P. Yang, Z. S. Lim, and Ariando

Phys. Rev. Materials 2, 065003 (2018) - Published 27 June, 2018

Metamaterials, optical, photonic, and plasmonic materials

Acoustic planar surface retroreflector

Gang Yong Song, Qiang Cheng, Tie Jun Cui, and Yun Jing

Phys. Rev. Materials 2, 065201 (2018) - Published 25 June, 2018

Materials for energy harvesting, storage, and generation

Atomistic study of the electronic contact resistivity between the half-Heusler alloys (HfCoSb, HfZrCoSb, HfZrNiSn) and the metal Ag

Yuping He, François Léonard, and Catalin D. Spataru

Phys. Rev. Materials 2, 065401 (2018) - Published 8 June, 2018

Stability and conductivity of cation- and anion-substituted ${LiBH}_{4}$ -based solid-state electrolytes

Zhenpeng Yao, Soo Kim, Kyle Michel, Yongsheng Zhang, Muratahan Aykol, and Chris Wolverton

Phys. Rev. Materials 2, 065402 (2018) - Published 19 June, 2018

Thermodynamics of hydrogen release in complexed borohydrides

D. Harrison and T. Thonhauser

Phys. Rev. Materials 2, 065403 (2018) - Published 20 June, 2018

Role of lattice distortion and A site cation in the phase transitions of methylammonium lead halide perovskites

Jonathon R. Harwell, Julia L. Payne, Muhammad T. Sajjad, Frank J. L. Heutz, Daniel M. Dawson, Pamela S. Whitfield, John T. S. Irvine, Ifor D. W. Samuel, and Michael A. Carpenter

Phys. Rev. Materials 2, 065404 (2018) - Published 20 June, 2018

EDITORS' SUGGESTION

Modeling lithium-ion solid-state electrolytes with a pinball model

Leonid Kahle, Aris Marcolongo, and Nicola Marzari

Phys. Rev. Materials 2, 065405 (2018) - Published 20 June, 2018

Inducing spontaneous electric polarizations in double perovskite iodide superlattices for ferroelectric photovoltaic materials

Joshua Young and James M. Rondinelli

Phys. Rev. Materials 2, 065406 (2018) - Published 22 June, 2018

FeTaSb and FeMnTiSb as promising thermoelectric materials: An ab initio approach

Mohd Zeeshan, Tashi Nautiyal, Jeroen van den Brink, and Hem C. Kandpal

Phys. Rev. Materials 2, 065407 (2018) - Published 25 June, 2018

Nanomaterials

Influence of the pore diameter in Cu/Co/Cu antidots: A XANES study

H. Garad, S. Usmani, D. Barral, P. David, L. Cagnon, D. Testemale, D. Mannix, F. Fettar, O. Proux, A. Rosa, O. Mathon, and S. Pascarelli

Phys. Rev. Materials 2, 066001 (2018) - Published 13 June, 2018

Plasmon spectroscopy: Robust metallicity of Au wires on Si(557) upon oxidation

Z. Mamiyev, T. Lichtenstein, C. Tegenkamp, C. Braun, W. G. Schmidt, S. Sanna, and H. Pfnür

Phys. Rev. Materials 2, 066002 (2018) - Published 15 June, 2018

Resonant soft x-ray scattering unravels the hierarchical morphology of nanostructured bulk heterojunction photovoltaic thin films

Álvaro Rodríguez-Rodríguez, Mari-Cruz García-Gutiérrez, Tiberio A. Ezquerra, Michael A. Brady, Cheng Wang, and Esther Rebollar

Phys. Rev. Materials 2, 066003 (2018) - Published 20 June, 2018

Atomic-layer doping of SiGe heterostructures for atomic-precision donor devices

E. Bussmann, John King Gamble, J. C. Koepke, D. Laroche, S. H. Huang, Y. Chuang, J.-Y. Li, C. W. Liu, B. S. Swartzentruber, M. P. Lilly, M. S. Carroll, and T.-M. Lu

Phys. Rev. Materials 2, 066004 (2018) - Published 21 June, 2018