Volume 7, Issue 2

February 2023

Browse Issues:

HIGHLIGHTED ARTICLES

FEATURED IN PHYSICS

EDITORS' SUGGESTION

High-temperature ferromagnetism in ${Cr}_{1 + x} {Pt}_{5 - x} P$

Tyler J. Slade, Nao Furukawa, Tanner R. Smith, Juan Schmidt, Ranuri S. Dissanayaka Mudiyanselage, Lin-Lin Wang, Weiwei Xie, Sergey L. Bud'ko, and Paul C. Canfield

Phys. Rev. Materials 7, 024410 (2023) - Published 21 February, 2023

Identification of ambient-temperature ferromagnets is crucial for advancing established and emerging technologies including energy production, memory storage, and spintronics. The authors outline the discovery and basic properties of the compound Cr $_{1 + x}$ Pt $_{5 - x}$ P, the first ternary material in the Cr-Pt-P phase space. Sizable single crystals of Cr $_{1 + x}$ Pt $_{5 - x}$ P are grown from solution by adding Cr into Pt-P based melts. Cr $_{1 + x}$ Pt $_{5 - x}$ P adopts a tetragonal $P$ 4/ $m m m$ crystal structure composed of CrPt $_{3}$ slabs that span the $a b$ -plane and that are separated by sheets of P atoms along the $c$ -axis. Cr $_{1 + x}$ Pt $_{5 - x}$ P is a ferromagnetic metal with a high Curie temperature T $_{C}$ = 464.5(5) K and extremely strong planar anisotropy with estimated anisotropy fields H $_{A}$ = 345 kOe and 220 kOe at 1.8 K and 300 K respectively.

EDITORS' SUGGESTION

Triple junction solute segregation in Al-based polycrystals

Nutth Tuchinda and Christopher A. Schuh

Phys. Rev. Materials 7, 023601 (2023) - Published 16 February, 2023

This study focuses on the impact of grain triple junctions on the bulk thermodynamics of nanomaterials, particularly in Al-based polycrystals where the volume fraction of these junctions is high. The investigation evaluates the energetics of solute segregation at both grain boundaries and triple junctions, and identifies systems where junction segregation is preferred over grain boundaries. The study generates a comprehensive database of segregation spectra for 39 solute elements in Al, which reveals important chemical trends that can aid in alloy designs. Furthermore, the framework employed in this study is adaptable to other alloy systems.

LETTERS

Topological and Dirac materials

LETTER

Thermal robustness of the quantum spin Hall phase in monolayer ${WTe}_{2}$

Antimo Marrazzo

Phys. Rev. Materials 7, L021201 (2023) - Published 8 February, 2023

ARTICLES

Crystal growth, crystallization, and kinetics

Single-crystalline PbTe film growth through reorientation

Jason Jung, Sander G. Schellingerhout, Orson A. H. van der Molen, Wouter H. J. Peeters, Marcel A. Verheijen, and Erik P. A. M. Bakkers

Phys. Rev. Materials 7, 023401 (2023) - Published 13 February, 2023

Crystal growth and magnetic structure of ternary silicide $Eu {Pd}_{3} {Si}_{2}$

Shivani Sharma, Masoud Mardani, Keke Feng, Kaya Wei, Ryan Baumbach, Qiang Zhang, David J. Singh, and Theo Siegrist

Phys. Rev. Materials 7, 023402 (2023) - Published 17 February, 2023

Selection of solidification pathway in rapid solidification processes

Nima Najafizadeh, Men G. Chu, and Yijia Gu

Phys. Rev. Materials 7, 023403 (2023) - Published 21 February, 2023

Antiferromagnetism of ${CeCd}_{0.67} {As}_{2}$ existing deep inside the narrow gap semiconducting state

Suyoung Kim, Obinna P. Uzoh, and Eundeok Mun

Phys. Rev. Materials 7, 023404 (2023) - Published 22 February, 2023

Consistent representation of vapor phases in phase field crystal dynamics

Matthew J. Frick, Emily Wilson, and Nikolas Provatas

Phys. Rev. Materials 7, 023405 (2023) - Published 27 February, 2023

Structural and mechanical properties

EDITORS' SUGGESTION

Triple junction solute segregation in Al-based polycrystals

Nutth Tuchinda and Christopher A. Schuh

Phys. Rev. Materials 7, 023601 (2023) - Published 16 February, 2023

Shear-band cavitation determines the shape of the stress-strain curve of metallic glasses

Amlan Das, Catherine Ott, Dinesh Pechimuthu, Robabeh Moosavi, Mihai Stoica, Peter M. Derlet, and Robert Maaß

Phys. Rev. Materials 7, 023602 (2023) - Published 23 February, 2023

Development of new methods for materials

Quantifying anisotropic thermal transport in two-dimensional perovskite $({PEA}_{2} {PbI}_{4})$ through cross-sectional scanning thermal microscopy

Abhishek Maiti, Khushboo Agarwal, Sergio Gonzalez-Munoz, and Oleg. V. Kolosov

Phys. Rev. Materials 7, 023801 (2023) - Published 3 February, 2023

Anharmonic thermo-elasticity of tungsten from accelerated Bayesian adaptive biasing force calculations with data-driven force fields

Anruo Zhong, Clovis Lapointe, Alexandra M. Goryaeva, Jacopo Baima, Manuel Athènes, and Mihai-Cosmin Marinica

Phys. Rev. Materials 7, 023802 (2023) - Published 13 February, 2023

Rapid prediction of phonon structure and properties using the atomistic line graph neural network (ALIGNN)

Ramya Gurunathan, Kamal Choudhary, and Francesca Tavazza

Phys. Rev. Materials 7, 023803 (2023) - Published 24 February, 2023

Two-dimensional materials

Visualization of robust two-dimensional bulk states with suppressed surface state on epitaxial ${PdCoO}_{2}$ thin films with bipolar surfaces

Tomoki Kawamoto, Anjana Krishnadas, Chia-Hsiu Hsu, Markel Pardo-Almanza, Yuita Fujisawa, Guoqing Chang, Takayuki Harada, and Yoshinori Okada

Phys. Rev. Materials 7, 024001 (2023) - Published 3 February, 2023

Giant electrophotonic response in two-dimensional halide perovskite ${Cs}_{3} {Bi}_{2} I_{9}$ by strain engineering

Srihari M. Kastuar and Chinedu E. Ekuma

Phys. Rev. Materials 7, 024002 (2023) - Published 3 February, 2023

Moiré patterns and inversion boundaries in graphene/hexagonal boron nitride bilayers

K. R. Elder, Zhi-Feng Huang, and Tapio Ala-Nissila

Phys. Rev. Materials 7, 024003 (2023) - Published 8 February, 2023

Unfolding the band structure of van der Waals heterostructures

Georgios Vailakis and Georgios Kopidakis

Phys. Rev. Materials 7, 024004 (2023) - Published 15 February, 2023

X-ray free electron laser studies of electron and phonon dynamics of graphene adsorbed on copper

Hirohito Ogasawara et al.

Phys. Rev. Materials 7, 024005 (2023) - Published 27 February, 2023

First-principles study of luminescence in hexagonal boron nitride single layer: Exciton-phonon coupling and the role of substrate

Pierre Lechifflart, Fulvio Paleari, Davide Sangalli, and Claudio Attaccalite

Phys. Rev. Materials 7, 024006 (2023) - Published 27 February, 2023

Magnetic, ferroelectric, and multiferroic materials

Ferrimagnetic coupling between cobalt and light rare-earth samarium induced by dense hydrogenation of ${SmCo}_{5}$ permanent magnet under high pressures

Naoki Ishimatsu, Kentaro Ishimoto, Kouji Sakaki, Yumiko Nakamura, Naomi Kawamura, Saori I. Kawaguchi, Naohisa Hirao, and Satoshi Nakano

Phys. Rev. Materials 7, 024401 (2023) - Published 3 February, 2023

Single-crystal study of the honeycomb XXZ magnet ${BaCo}_{2}$ ( ${PO}_{4}$ ) $_{2}$ in magnetic fields

Xiao Wang, Rohit Sharma, Petra Becker, Ladislav Bohatý, and Thomas Lorenz

Phys. Rev. Materials 7, 024402 (2023) - Published 6 February, 2023

Magnetic-field switching of second-harmonic generation in noncentrosymmetric magnet ${Eu}_{2} Mn {Si}_{2} O_{7}$

Shingo Toyoda, Jiou-Cing Liao, Guang-Yu Guo, Yusuke Tokunaga, Taka-hisa Arima, Yoshinori Tokura, and Naoki Ogawa

Phys. Rev. Materials 7, 024403 (2023) - Published 9 February, 2023

Metamagnetic transition and anomalous Hall effect in Mn-based kagomé magnets $R {Mn}_{6} {Ge}_{6} (R = Tb − Lu)$

Huibin Zhou, Mengyi Shi, Yuqing Huang, Wenlong Ma, Xitong Xu, Junfeng Wang, and Shuang Jia

Phys. Rev. Materials 7, 024404 (2023) - Published 13 February, 2023

Confined spin waves in magnetochiral nanotubes with axial and circumferential magnetization

Maria Carmen Giordano, Mohammad Hamdi, Andrea Mucchietto, and Dirk Grundler

Phys. Rev. Materials 7, 024405 (2023) - Published 15 February, 2023

Antiferromagnetic $Fe {Te}_{2} 1 T − phase$ formation at the ${Sb}_{2} {Te}_{3} / {Ni}_{80} {Fe}_{20}$ interface

A. R. Will-Cole, James L. Hart, Matthew Matzelle, Adrian Podpirka, Nirjhar Bhattacharjee, Shreya K. Patel, Sarah H. Tolbert, Arun Bansil, Judy J. Cha, Don Heiman, and Nian X. Sun

Phys. Rev. Materials 7, 024406 (2023) - Published 15 February, 2023

Spin disorder in a stacking polytype of a layered magnet

Xianghan Xu, Guangming Cheng, Danrui Ni, Xin Gui, Weiwei Xie, Nan Yao, and R. J. Cava

Phys. Rev. Materials 7, 024407 (2023) - Published 16 February, 2023

Structural and dynamical phase transitions of ${NaNbO}_{3}$ from first-principles calculations

Safari Amisi, Philippe Lambin, and Philippe Ghosez

Phys. Rev. Materials 7, 024408 (2023) - Published 17 February, 2023

Surface-induced ferromagnetism and anomalous Hall transport at ${Zr}_{2} S (001)$

Shuyuan Liu, Yanwei Luo, Chongze Wang, Hyunsoo Jeon, Yu Jia, and Jun-Hyung Cho

Phys. Rev. Materials 7, 024409 (2023) - Published 17 February, 2023

FEATURED IN PHYSICS

EDITORS' SUGGESTION

High-temperature ferromagnetism in ${Cr}_{1 + x} {Pt}_{5 - x} P$

Tyler J. Slade, Nao Furukawa, Tanner R. Smith, Juan Schmidt, Ranuri S. Dissanayaka Mudiyanselage, Lin-Lin Wang, Weiwei Xie, Sergey L. Bud'ko, and Paul C. Canfield

Phys. Rev. Materials 7, 024410 (2023) - Published 21 February, 2023

Comprehensive analysis on the effect of ionic size and size disorder parameter in high entropy stabilized ferromagnetic manganite perovskite

Radhamadhab Das, Sudip Pal, Sudipa Bhattacharya, Shreyashi Chowdhury, Supin K. K., M. Vasundhara, Arup Gayen, and Md. Motin Seikh

Phys. Rev. Materials 7, 024411 (2023) - Published 21 February, 2023

Evidence of correlated incommensurate structural and magnetic order in highly oxygen-doped layered nickelate ${Nd}_{2} {NiO}_{4.23}$

Sumit Ranjan Maity, Monica Ceretti, Lukas Keller, Jürg Schefer, Bertrand Roessli, Uwe Stuhr, Christof Niedermayer, and Werner Paulus

Phys. Rev. Materials 7, 024412 (2023) - Published 21 February, 2023

Intrinsic instability to martensite phases in ferromagnetic shape memory alloy ${Ni}_{2} MnGa$ : Quasiparticle self-consistent $G W$ investigation

Masao Obata, Takao Kotani, and Tatsuki Oda

Phys. Rev. Materials 7, 024413 (2023) - Published 21 February, 2023

Entangled origins of the nonmagnetic states of U and Fe atoms in hydrogenated UFeGe

Leonid M. Sandratskii, Vyacheslav M. Silkin, and Ladislav Havela

Phys. Rev. Materials 7, 024414 (2023) - Published 22 February, 2023

Anomalous strain relaxation and its impact on the valence-driven spin-state/metal-insulator transition in epitaxial ${(\Pr_{1 − y} Y_{y})}_{1 − x} {Ca}_{x} Co O_{3 − δ}$

John E. Dewey, Supriya Ghosh, Vipul Chaturvedi, William M. Postiglione, Lucca Figari, Andrew Jacobson, Caroline Korostynski, Timothy R. Charlton, K. Andre Mkhoyan, and Chris Leighton

Phys. Rev. Materials 7, 024415 (2023) - Published 22 February, 2023

Competitive actions of MnSi in the epitaxial growth of ${Mn}_{5} {Si}_{3}$ thin films on Si(111)

Ismaïla Kounta, Helena Reichlova, Dominik Kriegner, Rafael Lopes Seeger, Antonin Bad'ura, Miina Leiviska, Amine Boussadi, Vasile Heresanu, Sylvain Bertaina, Matthieu Petit, Eva Schmoranzerova, Libor Smejkal, Jairo Sinova, Tomas Jungwirth, Vincent Baltz, Sebastian T. B. Goennenwein, and Lisa Michez

Phys. Rev. Materials 7, 024416 (2023) - Published 23 February, 2023

Tunable magnetic interactions in mono-transition metal spinels ${MgCr}_{2} X_{4} (X = O, S, Se)$ and $A {Cr}_{2} S_{4} (A = Ca, Sr, Ba)$

Zhao Ran, Chengyang Xu, and Weidong Luo

Phys. Rev. Materials 7, 024417 (2023) - Published 23 February, 2023

Room temperature spin-orbit torque efficiency and magnetization switching in ${SrRuO}_{3}$ -based heterostructures

Sheng Li, Bin Lao, Zengxing Lu, Xuan Zheng, Kenan Zhao, Liguang Gong, Tao Tang, Keyi Wu, Run-Wei Li, and Zhiming Wang

Phys. Rev. Materials 7, 024418 (2023) - Published 23 February, 2023

Ordered and disordered variants of the triangular lattice antiferromagnet ${Ca}_{3} {NiNb}_{2} O_{9}$ : Crystal growth and magnetic properties

Dibyata Rout, Ran Tang, Markos Skoulatos, Bachir Ouladdiaf, Yuto Kinoshita, Atsushi Miyake, Masashi Tokunaga, Sagar Mahapatra, and Surjeet Singh

Phys. Rev. Materials 7, 024419 (2023) - Published 24 February, 2023

Vibrational properties of ${LiNbO}_{3}$ and ${LiTaO}_{3}$ under uniaxial stress

Ekta Singh, Mike N. Pionteck, Sven Reitzig, Michael Lange, Michael Rüsing, Lukas M. Eng, and Simone Sanna

Phys. Rev. Materials 7, 024420 (2023) - Published 27 February, 2023

Stacking-dependent topological magnons in bilayer ${CrI}_{3}$

Maarten Soenen, Cihan Bacaksiz, Raí M. Menezes, and Milorad V. Milošević

Phys. Rev. Materials 7, 024421 (2023) - Published 28 February, 2023

Sawtooth lattice multiferroic ${BeCr}_{2} O_{4}$ : Noncollinear magnetic structure and multiple magnetic transitions

Hector Cein Mandujano, Alejandro Metta, Neven Barišić, Qiang Zhang, Wojciech Tabiś, Naveen Kumar Chogondahalli Muniraju, and Harikrishnan S. Nair

Phys. Rev. Materials 7, 024422 (2023) - Published 28 February, 2023

Magnetic phase diagram and multiple field-induced states in the intermetallic triangular-lattice antiferromagnet ${NdAuAl}_{4} {Ge}_{2}$ with Ising-like spins

Mengru Cong, Han Ge, Lei Zhang, Weijun Ren, Nan Zhao, Tiantian Li, Shanmin Wang, Jinlong Zhu, Jiawei Mei, Qiang Zhang, Jieming Sheng, Fei Gao, Bing Li, Zhidong Zhang, and Liusuo Wu

Phys. Rev. Materials 7, 024423 (2023) - Published 28 February, 2023

Semiconducting materials

Dislocations as natural quantum wires in diamond

Sevim Polat Genlik, Roberto C. Myers, and Maryam Ghazisaeidi

Phys. Rev. Materials 7, 024601 (2023) - Published 13 February, 2023

Versatile strain relief pathways in epitaxial films of $(001) - oriented$ PbSe on III-V substrates

Brian B. Haidet, Jarod Meyer, Pooja Reddy, Eamonn T. Hughes, and Kunal Mukherjee

Phys. Rev. Materials 7, 024602 (2023) - Published 17 February, 2023

Superconducting materials

Possible structural quantum criticality tuned by rare-earth ion substitution in infinite-layer nickelates

Alaska Subedi

Phys. Rev. Materials 7, 024801 (2023) - Published 6 February, 2023

Molecular beam epitaxy of a half-Heusler topological superconductor candidate YPtBi

Jiwoong Kim, Kajetan M. Fijalkowski, Johannes Kleinlein, Claus Schumacher, Anastasios Markou, Charles Gould, Steffen Schreyeck, Claudia Felser, and Laurens W. Molenkamp

Phys. Rev. Materials 7, 024802 (2023) - Published 8 February, 2023

Synthesis of superconducting hcp- $Zr H_{3}$ under high hydrogen pressure

Mikhail A. Kuzovnikov, Vladimir E. Antonov, Valery I. Kulakov, Vitaly D. Muzalevsky, Nikita S. Orlov, Andrey V. Palnichenko, and Yury M. Shulga

Phys. Rev. Materials 7, 024803 (2023) - Published 13 February, 2023

Band structure, superconductivity, and polytypism in ${AuSn}_{4}$

Edwin Herrera, Beilun Wu, Evan O'Leary, Alberto M. Ruiz, Miguel Águeda, Pablo García Talavera, Víctor Barrena, Jon Azpeitia, Carmen Munuera, Mar García-Hernández, Lin-Lin Wang, Adam Kaminski, Paul C. Canfield, José J. Baldoví, Isabel Guillamón, and Hermann Suderow

Phys. Rev. Materials 7, 024804 (2023) - Published 13 February, 2023

Effects of adsorbed molecular ordering to the superconductivity of a two-dimensional atomic layer crystal

Shunsuke Inagaki, Narunori Ebara, Takahiro Kobayashi, Ryota Itaya, Kenta Yokota, Isamu Yamamoto, Jacek Osiecki, Khadiza Ali, Craig Polley, H. M. Zhang, L. S. O. Johansson, Takashi Uchihashi, and Kazuyuki Sakamoto

Phys. Rev. Materials 7, 024805 (2023) - Published 21 February, 2023

Structural evolution of the kagome superconductors $A V_{3} {Sb}_{5}$ (A = K, Rb, and Cs) through charge density wave order

Linus Kautzsch, Brenden R. Ortiz, Krishnanand Mallayya, Jayden Plumb, Ganesh Pokharel, Jacob P. C. Ruff, Zahirul Islam, Eun-Ah Kim, Ram Seshadri, and Stephen D. Wilson

Phys. Rev. Materials 7, 024806 (2023) - Published 24 February, 2023

Metamaterials, optical, photonic, and plasmonic materials

Uncertainty quantification of phase boundary in a composition-phase map via Bayesian strategies

Biao Wu, Haihui Zhang, Yuanxun Zhou, Lanting Zhang, and Hong Wang

Phys. Rev. Materials 7, 025201 (2023) - Published 13 February, 2023

Materials for energy harvesting, storage, and generation

Interface-independent sound speed and thermal conductivity of atomic-layer-deposition-grown amorphous $AlN / {Al}_{2} O_{3}$ multilayers with varying oxygen composition

Md Shafkat Bin Hoque, Ian A. Brummel, Eric R. Hoglund, C. Jaymes Dionne, Kiumars Aryana, John A. Tomko, John T. Gaskins, Daniel Hirt, Sean W. Smith, Thomas Beechem, James M. Howe, Ashutosh Giri, Jon F. Ihlefeld, and Patrick E. Hopkins

Phys. Rev. Materials 7, 025401 (2023) - Published 2 February, 2023

Finite-temperature properties of ${CsPbI}_{3}$ thin films

Sukriti Mantri, Sergey Prosandeev, and Laurent Bellaiche

Phys. Rev. Materials 7, 025402 (2023) - Published 8 February, 2023

Effect of intrinsic point defects on the catalytic and electronic properties of ${Cu}_{2} {WS}_{4}$ single layer: Ab initio calculations

Tarik Ouahrani, Reda M. Boufatah, Mohammed Benaissa, Ángel Morales-García, Michael Badawi, and Daniel Errandonea

Phys. Rev. Materials 7, 025403 (2023) - Published 17 February, 2023

Effect of electronic stopping in molecular dynamics simulations of collision cascades in gallium arsenide

Johannes L. Teunissen, Thomas Jarrin, Nicolas Richard, Natalia E. Koval, Daniel Muñoz Santiburcio, Jorge Kohanoff, Emilio Artacho, Fabrizio Cleri, and Fabiana Da Pieve

Phys. Rev. Materials 7, 025404 (2023) - Published 21 February, 2023

High thermoelectric performance of layered $LaAg X O (X = Se, Te)$ from electrical and thermal transport calculations

Arul Raj Natarajan, L. Ponvijayakanthan, Mayanak K. Gupta, Ranjan Mittal, David J. Singh, and V. Kanchana

Phys. Rev. Materials 7, 025405 (2023) - Published 24 February, 2023

Enhanced thermoelectric properties of heavy-fermion compounds ${Yb}_{x} {Ce}_{y} {Sm}_{z} {Ir}_{2} {Zn}_{20}$ ( $x + y + z = 1$ )

Jorge R. Galeano-Cabral, Eliana Karr, Benny Schundelmier, Olatunde Oladehin, Eun S. Choi, Theo Siegrist, Juan Ordonez, Sarvjit Shastri, Valeri Petkov, Ryan E. Baumbach, and Kaya Wei

Phys. Rev. Materials 7, 025406 (2023) - Published 28 February, 2023

Soft, molecular, and amorphous materials

Phase selection in aluminum rare-earth metallic alloys by molecular dynamics simulations using machine learning interatomic potentials

Ling Tang, Mathew J. Kramer, Kai-Ming Ho, and Cai-Zhang Wang

Phys. Rev. Materials 7, 025601 (2023) - Published 17 February, 2023

Temperature-induced transformation between layered herringbone polymorphs in molecular bilayer organic semiconductors

Shunto Arai, Satoru Inoue, Mutsuo Tanaka, Seiji Tsuzuki, Ryusuke Kondo, Reiji Kumai, and Tatsuo Hasegawa

Phys. Rev. Materials 7, 025602 (2023) - Published 23 February, 2023

Viewing high entropy alloys through glasses: Linkages between solid solution and glass phases in multicomponent alloys

R. Alvarez-Donado, S. Papanikolaou, A. Esfandiarpour, and M. J. Alava

Phys. Rev. Materials 7, 025603 (2023) - Published 23 February, 2023

Salinity induced stiffening of drying particulate film and dynamic warping

Hisay Lama, Ludovic Pauchard, Frédérique Giorgiutti-Dauphine, and Sanjoy Khawas

Phys. Rev. Materials 7, 025604 (2023) - Published 27 February, 2023

Nanomaterials

Theory of diffusion-induced selective area growth of III-V nanostructures

Vladimir G. Dubrovskii

Phys. Rev. Materials 7, 026001 (2023) - Published 14 February, 2023

Direct observation of large-area strain propagation on free-standing nanomembranes

Yuri Bernardes, Lucas A. B. Marçal, Barbara L. T. Rosa, Ailton Garcia, Jr., Christoph Deneke, Tobias U. Schülli, Marie-Ingrid Richard, and Angelo Malachias

Phys. Rev. Materials 7, 026002 (2023) - Published 23 February, 2023

Materials for Quantum Technologies

Effects of intermixing and oxygen vacancies on a two-dimensional electron gas at the polar $(TbSc O_{3} / KTa O_{3}) (001)$ interface

Bhubnesh Lama, Evgeny Y. Tsymbal, and Tula R. Paudel

Phys. Rev. Materials 7, 026201 (2023) - Published 13 February, 2023