Volume 6, Issue 7

July 2022

Browse Issues:

HIGHLIGHTED ARTICLES

EDITORS' SUGGESTION

Defect structure in quantum-cutting ${Yb}^{3 +}$ -doped $CsPb {Cl}_{3}$ perovskites probed by x-ray absorption and atomic pair distribution function analysis

Kyle T. Kluherz, Sebastian T. Mergelsberg, David E. Sommer, Joo Yeon D. Roh, Sarah A. Saslow, Daniel Biner, Karl W. Krämer, Scott T. Dunham, James J. De Yoreo, and Daniel R. Gamelin

Phys. Rev. Materials 6, 074601 (2022) - Published 22 July, 2022

Lead halide perovskite materials doped with lanthanides can exhibit over 100% luminescence quantum yield due to quantum cutting. Defect states related to these dopants are known to play a role in the quantum cutting mechanism, but the structural changes and charge compensation mechanisms induced by these dopants have not been fully explored. Here, the authors use a combination of advanced x-ray techniques and computational modeling to elucidate the structural impact of ytterbium doping in CsPbCl $_{3}$ . The authors find that Yb $^{3 +}$ , exclusively in the +3 oxidation state, replaces Pb $^{2 +}$ in the octahedral site with charge compensated by Pb $^{2 +}$ vacancies, providing clear experimental verification of a hypothesized structure.

EDITORS' SUGGESTION

Synthesis and electronic properties of epitaxial ${SrNiO}_{3} / {SrTiO}_{3}$ superlattices

Le Wang, Jiali Zhao, Cheng-Tai Kuo, Bethany E. Matthews, Marjolein T. Oostrom, Steven R. Spurgeon, Zhenzhong Yang, Mark E. Bowden, Linda W. Wangoh, Sang-Jun Lee, Jun-Sik Lee, Er-Jia Guo, Jiaou Wang, Scott A. Chambers, and Yingge Du

Phys. Rev. Materials 6, 075006 (2022) - Published 20 July, 2022

The functionality of materials is critically dependent on structures and electronic properties. The valence of transition metal (TM) cations in complex oxides is key and each TM exhibits a fixed range of stable values. For Ni, the formal oxidation state is 2+, but can reach 3+ for certain compositions. By limiting SrNiO $_{3}$ film thickness to 1 unit cell in (SrNiO $_{3}$ ) $_{1}$ /(SrTiO $_{3}$ ) $_{n}$ superlattices, the authors demonstrate that the Ni valence exceeds 3+ whereas the Ti valence remains at 4+, and that neither valence changes with $n$ . This work demonstrates that the structural environment can be controlled to achieve electronic properties not normally found in bulk materials by means of superlattice formation.

REVIEW ARTICLES

Advanced single-crystal layered Ni-rich cathode materials for next-generation high-energy-density and long-life Li-ion batteries

Jianming Sun, Xin Cao, and Haoshen Zhou

Phys. Rev. Materials 6, 070201 (2022) - Published 13 July, 2022

The studies of Ni-rich cathode materials have been the top priority of research because of the high energy density and fair cycling life. However, suffering from severe crack generations and side reactions, the traditional polycrystal (PC) Ni-rich material displayed structural/electrochemical fade during cycling. Compared with PC, single-crystal (SC) Ni-rich materials exhibited excellent structural stability and cycling performance, benefiting from the limited side reaction and gas generation. In this review, the authors not only compared the structural evolution and electrochemical failure mechanisms between PC and SC, but also summarized the synthesis methods and characterization techniques of SC, which provides universal insights into the development of Ni-rich cathode materials.

LETTERS

Structural and mechanical properties

LETTER

Wood compression in four-dimensional in situ tomography

Tero Mäkinen, Alisa Halonen, Juha Koivisto, and Mikko J. Alava

Phys. Rev. Materials 6, L070601 (2022) - Published 21 July, 2022

Magnetic, ferroelectric, and multiferroic materials

LETTER

Interfacial potential gradient modulates Dzyaloshinskii-Moriya interaction in Pt/Co/metal multilayers

Fernando Ajejas, Yanis Sassi, William Legrand, Sophie Collin, Jose Peña Garcia, André Thiaville, Stefania Pizzini, Nicolas Reyren, Vincent Cros, and Albert Fert

Phys. Rev. Materials 6, L071401 (2022) - Published 5 July, 2022

LETTER

Essential role of magnetic frustration in the phase diagrams of doped cobaltites

Peter P. Orth, D. Phelan, J. Zhao, H. Zheng, J. F. Mitchell, C. Leighton, and Rafael M. Fernandes

Phys. Rev. Materials 6, L071402 (2022) - Published 5 July, 2022

ARTICLES

Crystal growth, crystallization, and kinetics

Single crystal growth of superconducting ${UTe}_{2}$ by molten salt flux method

H. Sakai, P. Opletal, Y. Tokiwa, E. Yamamoto, Y. Tokunaga, S. Kambe, and Y. Haga

Phys. Rev. Materials 6, 073401 (2022) - Published 29 July, 2022

Structural and mechanical properties

Mechanism of local lattice distortion effects on vacancy migration barriers in fcc alloys

Zhucong Xi, Mingfei Zhang, Louis G. Hector, Jr., Amit Misra, and Liang Qi

Phys. Rev. Materials 6, 073601 (2022) - Published 13 July, 2022

Intermittent microplasticity in the presence of a complex microstructure

Q. Rizzardi, P. M. Derlet, and R. Maaß

Phys. Rev. Materials 6, 073602 (2022) - Published 20 July, 2022

Raman spectroscopy of thermally perturbed carbon fibers: Discriminating spectral responses of modulus classes and defect types

Z. E. Brubaker, A. Miskowiec, and J. L. Niedziela

Phys. Rev. Materials 6, 073603 (2022) - Published 21 July, 2022

Two-dimensional materials

Atomic ordering and phase separation in lateral heterostructures and multijunctions of ternary two-dimensional hexagonal materials

Zhi-Feng Huang

Phys. Rev. Materials 6, 074001 (2022) - Published 5 July, 2022

Absence of topological β-antimonene and growth of α-antimonene on noble metal Ag(111) and Cu(111) surfaces

Ping Zhang, Chen Ma, Shaoxiang Sheng, Huiru Liu, Jisong Gao, Zijia Liu, Peng Cheng, Baojie Feng, Lan Chen, and Kehui Wu

Phys. Rev. Materials 6, 074002 (2022) - Published 5 July, 2022

Experimental and theoretical characterization of x-ray induced excitons, magnons, and $d d$ transitions in ${MoO}_{3}$ nanosheets

A. Qamar, P. M. Braun, S. Walia, S. Balendhran, F. Rahman, E. Z. Kurmaev, and A. Moewes

Phys. Rev. Materials 6, 074003 (2022) - Published 6 July, 2022

Spin and orbital transport in rare-earth dichalcogenides: The case of ${EuS}_{2}$

Mahmoud Zeer, Dongwook Go, Johanna P. Carbone, Tom G. Saunderson, Matthias Redies, Mathias Kläui, Jamal Ghabboun, Wulf Wulfhekel, Stefan Blügel, and Yuriy Mokrousov

Phys. Rev. Materials 6, 074004 (2022) - Published 7 July, 2022

Substrate influence on transition metal dichalcogenide monolayer exciton absorption linewidth broadening

Fuhui Shao, Steffi Y. Woo, Nianjheng Wu, Robert Schneider, Andrew J. Mayne, Steffen Michaelis de Vasconcellos, Ashish Arora, Benjamin J. Carey, Johann A. Preuß, Noémie Bonnet, Mauro Och, Cecilia Mattevi, Kenji Watanabe, Takashi Taniguchi, Zhichuan Niu, Rudolf Bratschitsch, and Luiz H. G. Tizei

Phys. Rev. Materials 6, 074005 (2022) - Published 22 July, 2022

$β$ -graphene monoxide: Two-dimensional crystal form of carbon monoxide

Danylo Radevych, Marija Gajdardziska-Josifovska, Carol J. Hirschmugl, Marvin A. Schofield, and Michael Weinert

Phys. Rev. Materials 6, 074006 (2022) - Published 26 July, 2022

Topological and Dirac materials

Incommensurate magnetic orders and topological Hall effect in the square-net centrosymmetric ${EuGa}_{2} {Al}_{2}$ system

Jaime M. Moya, Shiming Lei, Eleanor M. Clements, Caitlin S. Kengle, Stella Sun, Kevin Allen, Qizhi Li, Y. Y. Peng, Ali A. Husain, Matteo Mitrano, Matthew J. Krogstad, Raymond Osborn, Anand B. Puthirath, Songxue Chi, L. Debeer-Schmitt, J. Gaudet, P. Abbamonte, Jeffrey W. Lynn, and E. Morosan

Phys. Rev. Materials 6, 074201 (2022) - Published 7 July, 2022

Two-dimensional anisotropic Dirac materials ${PtN}_{4} C_{2}$ and ${Pt}_{2} N_{8} C_{6}$ with quantum spin and valley Hall effects

Jingping Dong, Chuhan Wang, Xinlei Zhao, Miao Gao, Xun-Wang Yan, Fengjie Ma, and Zhong-Yi Lu

Phys. Rev. Materials 6, 074202 (2022) - Published 18 July, 2022

Interplay of spin current and magnetization in a topological-insulator/magnetic-insulator bilayer structure

Xiaohang Zhang, Connie H. Li, Jisoo Moon, Serhiy Leontsev, Michael R. Page, Berend T. Jonker, and Olaf van ‘t Erve

Phys. Rev. Materials 6, 074203 (2022) - Published 20 July, 2022

Topological surface states in ultrathin ${Bi}_{1 - x} {Sb}_{x}$ layers

Laëtitia Baringthon, Thi Huong Dang, Henri Jaffrès, Nicolas Reyren, Jean-Marie George, Martina Morassi, Gilles Patriarche, Aristide Lemaitre, François Bertran, and Patrick Le Fèvre

Phys. Rev. Materials 6, 074204 (2022) - Published 20 July, 2022

Axion insulator states in a topological insulator proximitized to magnetic insulators: A tight-binding characterization

Mohammad Shafiei, Farhad Fazileh, François M. Peeters, and Milorad V. Milošević

Phys. Rev. Materials 6, 074205 (2022) - Published 21 July, 2022

Room temperature spin-orbit torque efficiency in sputtered low-temperature superconductor δ-TaN

Przemyslaw Wojciech Swatek, Xudong Hang, Yihong Fan, Wei Jiang, Hwanhui Yun, Deyuan Lyu, Delin Zhang, Thomas J. Peterson, Protyush Sahu, Onri Jay Benally, Zach Cresswell, Jinming Liu, Rabindra Pahari, Daniel Kukla, Tony Low, K. Andre Mkhoyan, and Jian-Ping Wang

Phys. Rev. Materials 6, 074206 (2022) - Published 29 July, 2022

Magnetic, ferroelectric, and multiferroic materials

Role of Dy on the magnetic properties of orthorhombic ${DyFeO}_{3}$

Banani Biswas, Veronica F. Michel, Øystein S. Fjellvåg, Gesara Bimashofer, Max Döbeli, Michal Jambor, Lukas Keller, Elisabeth Müller, Victor Ukleev, Ekaterina V. Pomjakushina, Deepak Singh, Uwe Stuhr, C. A. F. Vaz, Thomas Lippert, and Christof W. Schneider

Phys. Rev. Materials 6, 074401 (2022) - Published 12 July, 2022

Compatible microstructures in magnetic materials

Ananya Renuka Balakrishna

Phys. Rev. Materials 6, 074402 (2022) - Published 13 July, 2022

Rhombic Fermi surfaces in a ferromagnetic MnGa thin film with perpendicular magnetic anisotropy

M. Kobayashi, N. H. D. Khang, T. Takeda, K. Araki, R. Okano, M. Suzuki, K. Kuroda, K. Yaji, K. Sugawara, S. Souma, K. Nakayama, K. Yamauchi, M. Kitamura, K. Horiba, A. Fujimori, T. Sato, S. Shin, M. Tanaka, and P. N. Hai

Phys. Rev. Materials 6, 074403 (2022) - Published 15 July, 2022

Unveiling the atomic position of C in ${Mn}_{5} {Ge}_{3} C_{x}$ thin films

L.-A. Michez, M. Petit, V. Heresanu, V. Le Thanh, E. Prestat, F. d'Acapito, Q. Ramasse, F. Boscherini, P. Pochet, and M. Jamet

Phys. Rev. Materials 6, 074404 (2022) - Published 22 July, 2022

Correlated negative magnetization, exchange bias, and electrical properties in ${La}_{1 − x} \Pr_{x} {CrO}_{3}$

Deepak, A. Kumar, A. K. Bera, and S. M. Yusuf

Phys. Rev. Materials 6, 074405 (2022) - Published 22 July, 2022

Stabilization of the epitaxial rhombohedral ferroelectric phase in ${ZrO}_{2}$ by surface energy

Ali El Boutaybi, Thomas Maroutian, Ludovic Largeau, Sylvia Matzen, and Philippe Lecoeur

Phys. Rev. Materials 6, 074406 (2022) - Published 25 July, 2022

Tunable magnetic scattering and ferroelectric switching at the ${LaAlO}_{3} / {EuTiO}_{3} / {Sr}_{0.99} {Ca}_{0.01} {TiO}_{3}$ interface

G. Tuvia, S. W. Sobelman, S. Sandik, B. Kalisky, and Y. Dagan

Phys. Rev. Materials 6, 074408 (2022) - Published 26 July, 2022

Magnetic-field-controlled multitude of spin excitation modes in magnetoelectric ${Co}_{4} {Nb}_{2} O_{9}$ as investigated by magnetoterahertz spectroscopy

Rahul Dagar, Satish Yadav, Monu Kinha, Brijesh Singh Mehra, Rajeev Rawat, Kiran Singh, and D. S. Rana

Phys. Rev. Materials 6, 074409 (2022) - Published 28 July, 2022

Self-consistent calculations of charge self-trapping energies: A comparative study of polaron formation and migration in ${PbTiO}_{3}$

Elaheh Ghorbani, Lorenzo Villa, Paul Erhart, Andreas Klein, and Karsten Albe

Phys. Rev. Materials 6, 074410 (2022) - Published 28 July, 2022

Direct observation of monoclinic polar nanoregions in relaxor ferroelectric $Pb ({Yb}_{1 / 2} {Nb}_{1 / 2}) O_{3} − {PbTiO}_{3}$

Hiroshi Nakajima, Satoshi Hiroi, Hirofumi Tsukasaki, Charlotte Cochard, Florence Porcher, Pierre-Eymeric Janolin, and Shigeo Mori

Phys. Rev. Materials 6, 074411 (2022) - Published 29 July, 2022

Persistent opto-ferroelectric responses in molecular ferroelectrics

Xuanyuan Jiang, Xiao Wang, Pratyush Buragohain, Andy T. Clark, Haidong Lu, Shashi Poddar, Le Yu, Anthony D. DiChiara, Alexei Gruverman, Xuemei Cheng, and Xiaoshan Xu

Phys. Rev. Materials 6, 074412 (2022) - Published 29 July, 2022

Semiconducting materials

EDITORS' SUGGESTION

Defect structure in quantum-cutting ${Yb}^{3 +}$ -doped $CsPb {Cl}_{3}$ perovskites probed by x-ray absorption and atomic pair distribution function analysis

Kyle T. Kluherz, Sebastian T. Mergelsberg, David E. Sommer, Joo Yeon D. Roh, Sarah A. Saslow, Daniel Biner, Karl W. Krämer, Scott T. Dunham, James J. De Yoreo, and Daniel R. Gamelin

Phys. Rev. Materials 6, 074601 (2022) - Published 22 July, 2022

Superconducting materials

Electron-phonon coupling strength from ab initio frozen-phonon approach

Yang Sun, Feng Zhang, Cai-Zhuang Wang, Kai-Ming Ho, Igor I. Mazin, and Vladimir Antropov

Phys. Rev. Materials 6, 074801 (2022) - Published 5 July, 2022

Tuning charge density wave order and superconductivity in the kagome metals ${KV}_{3} {Sb}_{5 - x} {Sn}_{x}$ and ${RbV}_{3} {Sb}_{5 - x} {Sn}_{x}$

Yuzki M. Oey, Farnaz Kaboudvand, Brenden R. Ortiz, Ram Seshadri, and Stephen D. Wilson

Phys. Rev. Materials 6, 074802 (2022) - Published 13 July, 2022

Other electronic materials

${KCo}_{2} {As}_{2}$ : A new portal for the physics of high-purity metals

Abhishek Pandey, Y. Liu, Saroj L. Samal, Yevhen Kushnirenko, A. Kaminski, D. J. Singh, and D. C. Johnston

Phys. Rev. Materials 6, 075001 (2022) - Published 1 July, 2022

Electronic structure of the highly conductive perovskite oxide ${SrMoO}_{3}$

E. Cappelli, A. Hampel, A. Chikina, E. Bonini Guedes, G. Gatti, A. Hunter, J. Issing, N. Biskup, M. Varela, C. E. Dreyer, A. Tamai, A. Georges, F. Y. Bruno, M. Radovic, and F. Baumberger

Phys. Rev. Materials 6, 075002 (2022) - Published 7 July, 2022

Resistance minimum in ${LaAlO}_{3} / {Eu}_{1 - x} {La}_{x} {TiO}_{3} / {SrTiO}_{3}$ heterostructures

N. Lebedev, Y. Huang, A. Rana, D. Jannis, N. Gauquelin, J. Verbeeck, and J. Aarts

Phys. Rev. Materials 6, 075003 (2022) - Published 12 July, 2022

Evidence for Jahn-Teller-driven metal-insulator transition in strained ${SrCrO}_{3}$ from first-principles calculations

Alberto Carta and Claude Ederer

Phys. Rev. Materials 6, 075004 (2022) - Published 13 July, 2022

Metal-insulator transition and anomalous lattice parameters changes in Ru-doped ${VO}_{2}$

Xin Gui and Robert J. Cava

Phys. Rev. Materials 6, 075005 (2022) - Published 15 July, 2022

EDITORS' SUGGESTION

Synthesis and electronic properties of epitaxial ${SrNiO}_{3} / {SrTiO}_{3}$ superlattices

Phys. Rev. Materials 6, 075006 (2022) - Published 20 July, 2022

Carrier-induced metal-insulator transition in trirutile ${MgTa}_{2} O_{6}$

Kyle D. Miller and James M. Rondinelli

Phys. Rev. Materials 6, 075007 (2022) - Published 21 July, 2022

Metamaterials, optical, photonic, and plasmonic materials

Photon tunneling reconstitution in black phosphorus/ $h BN$ heterostructure

Cheng-Long Zhou, Yong Zhang, Zahra Torbatian, Dino Novko, Mauro Antezza, and Hong-Liang Yi

Phys. Rev. Materials 6, 075201 (2022) - Published 26 July, 2022

Materials for energy harvesting, storage, and generation

Enhanced thermoelectric ZT in the tails of the Fermi distribution via electron filtering by nanoinclusions: Model electron transport in nanocomposites

S. Aria Hosseini, Devin Coleman, Sabah Bux, P. Alex Greaney, and Lorenzo Mangolini

Phys. Rev. Materials 6, 075401 (2022) - Published 6 July, 2022

Comparative study regarding the sputtering yield of nanocolumnar tungsten surfaces under ${Ar}^{+}$ irradiation

Alvaro Lopez-Cazalilla, Christian Cupak, Martina Fellinger, Fredric Granberg, Paul S. Szabo, Andreas Mutzke, Kai Nordlund, Friedrich Aumayr, and Raquel González-Arrabal

Phys. Rev. Materials 6, 075402 (2022) - Published 14 July, 2022

Soft, molecular, and amorphous materials

Glass-forming ability of binary Lennard-Jones systems

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

Phys. Rev. Materials 6, 075601 (2022) - Published 5 July, 2022

Microscopic diffusion in cationic vesicles across different phases

Jyoti Gupta, V. K. Sharma, H. Srinivasan, Himal Bhatt, S. Kumar, M. Sarter, V. García Sakai, and S. Mitra

Phys. Rev. Materials 6, 075602 (2022) - Published 12 July, 2022

Nonequilibrium plastic roughening of metallic glasses yields self-affine topographies with strain-rate and temperature-dependent scaling exponents

Wolfram G. Nöhring, Adam R. Hinkle, and Lars Pastewka

Phys. Rev. Materials 6, 075603 (2022) - Published 21 July, 2022

Crystallization and grain growth in impurity-doped colloidal polycrystals

Joseph D. Hutchinson, François A. Lavergne, and Roel P. A. Dullens

Phys. Rev. Materials 6, 075604 (2022) - Published 21 July, 2022

Structure and electronic properties of amorphous strontium titanate

Julia E. Medvedeva, Bishal Bhattarai, Ivan A. Zhuravlev, Federico Motti, Piero Torelli, Anita Guarino, Andreas Klein, Emiliano Di Gennaro, and Fabio Miletto Granozio

Phys. Rev. Materials 6, 075605 (2022) - Published 27 July, 2022

Materials for catalysis and electrochemistry

Density functional theory study of $NO − H_{2} O$ coadsorption on Cu(111)

Thanh Ngoc Pham, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, and Yoshitada Morikawa

Phys. Rev. Materials 6, 075801 (2022) - Published 25 July, 2022

Nanomaterials

Langevin dynamics/Monte Carlo simulations method for calculating nanoscale dielectric functions of materials

Steven B. Hancock, David P. Landau, Neda Alsadat Aghamiri, and Yohannes Abate

Phys. Rev. Materials 6, 076001 (2022) - Published 14 July, 2022