Volume 8, Issue 12

December 2024

Browse Issues:

HIGHLIGHTED ARTICLES

EDITORS' SUGGESTION

Origins of background signal effects in all-metallic non-local spin valves

A. J. Wright, D. Bromley, J. Watts, J. Ramberger, B. Kaiser, M. J. Erickson, P. A. Crowell, C. Leighton, and L. O’Brien

Phys. Rev. Materials 8, 124402 (2024) - Published 3 December, 2024

Background signals in non-local spin valves can hinder the interpretation of spin signals and could compromise performance in future devices. This work comprehensively investigates these background signals across a variety of ferromagnetic (Ni $_{80}$ Fe $_{20}$ , Fe, Co) and non-magnetic (Al, Cu) metals, using experimental measurements paired with three-dimensional finite element method simulations. The authors reveal the complex dependence of current spreading and thermoelectric effects on temperature, device dimensions and material pairings, giving rise to non-trivial background signals. They find excellent agreement between experiment and simulations across broad phase space, providing an insight into charge and heat transport in nanoscopic spintronic devices

EDITORS' SUGGESTION

Evidence of antiferromagnetism in ultrathin metallic (111)-oriented ${LaNiO}_{3}$ films

Margaret Kane, Purnima P. Balakrishnan, Okan Köksal, Megan Holtz, Andreas Suter, Michael R. Fitzsimmons, Chao-Yao Yang, Christoph Klewe, Paige Quarterman, Timothy R. Charlton, Andrew A. Herzing, Zaher Salman, Thomas Prokscha, Rossitza Pentcheva, Alexander J. Grutter, and Yuri Suzuki

Phys. Rev. Materials 8, 124406 (2024) - Published 11 December, 2024

Ultrathin (111)-oriented epitaxial LaNiO $_{3}$ films stabilize an antiferromagnetic ground state in contrast to bulk LaNiO $_{3}$ , which is acknowledged to be a paramagnetic metal. This emergent ground state is governed by a symmetry-breaking interface that places the (111) LaNiO $_{3}$ film under extremely high epitaxial strain. The stabilization of thickness-dependent antiferromagnetic metallic and insulating states highlights the role of crystal symmetry in tuning the quantum states in complex oxides.

LETTERS

Metamaterials, optical, photonic, and plasmonic materials

LETTER

Deep learning of spectra: Predicting the dielectric function of semiconductors

Malte Grunert, Max Großmann, and Erich Runge

Phys. Rev. Materials 8, L122201 (2024) - Published 2 December, 2024

ARTICLES

Crystal growth, crystallization, and kinetics

Synthesis and characterization of the novel breathing pyrochlore compound ${Ba}_{3} {Tm}_{2} {Zn}_{5} O_{11}$

Lalit Yadav, Rabindranath Bag, Ramesh Dhakal, Stephen M. Winter, Jeffrey G. Rau, Sachith E. Dissanayake, Alexander I. Kolesnikov, Andrey A. Podlesnyak, Craig M. Brown, Nicholas P. Butch, David Graf, Michel J. P. Gingras, and Sara Haravifard

Phys. Rev. Materials 8, 123401 (2024) - Published 6 December, 2024

Structural and mechanical properties

Physically intuitive anisotropic model of hardness

Faridun N. Jalolov and Alexander G. Kvashnin

Phys. Rev. Materials 8, 123601 (2024) - Published 2 December, 2024

Kinetics of orbital ordering in cooperative Jahn-Teller models: Machine-learning enabled large-scale simulations

Supriyo Ghosh, Sheng Zhang, Chen Cheng, and Gia-Wei Chern

Phys. Rev. Materials 8, 123602 (2024) - Published 2 December, 2024

Phase stability in the Hf-N and Zr-N systems

Jonathan Li, Derick Ober, and Anton Van der Ven

Phys. Rev. Materials 8, 123603 (2024) - Published 6 December, 2024

Dislocation dynamics in Ni: Parameterizing dislocation trajectories from atomistic simulations

Geraldine Anis, Thomas Hudson, and Peter Brommer

Phys. Rev. Materials 8, 123604 (2024) - Published 16 December, 2024

Learning from metastable symmetric-tilt grain boundaries using physics-based descriptors

Avanish Mishra, Sumit A. Suresh, Saryu J. Fensin, Nithin Mathew, and Edward M. Kober

Phys. Rev. Materials 8, 123605 (2024) - Published 23 December, 2024

Development of new methods for materials

Tailored pseudopotentials for magnesium surface core level shift calculations

Zhe Xing, Dmytro Orlov, and Elsebeth Schröder

Phys. Rev. Materials 8, 123801 (2024) - Published 3 December, 2024

Bayesian optimization of atomic structures with prior probabilities from universal interatomic potentials

Peder Lyngby, Casper Larsen, and Karsten Wedel Jacobsen

Phys. Rev. Materials 8, 123802 (2024) - Published 4 December, 2024

Polyvalent machine-learned potential for cobalt: From bulk to nanoparticles

Marthe Bideault, Jérôme Creuze, Ryoji Asahi, and Erich Wimmer

Phys. Rev. Materials 8, 123803 (2024) - Published 18 December, 2024

Two-dimensional materials

Designing $s p^{2}$ and $s p^{3}$ hybridized carbon allotrope and related B-doped phases

Reo Kita, Masayuki Toyoda, and Susumu Saito

Phys. Rev. Materials 8, 124001 (2024) - Published 2 December, 2024

Thickness-dependent magnetic anisotropy in two-dimensional layered rare-earth electride ${Gd}_{2} C$

Shuyuan Liu, Bing Wang, Chongze Wang, Liangliang Liu, Yu Jia, and J. Cho

Phys. Rev. Materials 8, 124002 (2024) - Published 11 December, 2024

New family of two-dimensional materials: $M X Y_{3}$ ( $M = V$ , Mo, W, Fe; $X = Al$ , Ga, In; $Y = S$ , Se, Te) monolayers with diverse magnetic properties

Ju-Jian Liao, Wei Chen, Yao-Zhuang Nie, Xi-guang Wang, Qing-lin Xia, and Guang-hua Guo

Phys. Rev. Materials 8, 124003 (2024) - Published 18 December, 2024

Nano-ARPES investigation of structural relaxation in small angle twisted bilayer tungsten disulfide

Giovanna Feraco, Oreste De Luca, Przemysław Przybysz, Homayoun Jafari, Oleksandr Zheliuk, Ying Wang, Philip Schädlich, Pavel Dudin, José Avila, Jianting Ye, Thomas Seyller, Paweł Dąbrowski, Paweł J. Kowalczyk, Jagoda Sławińska, Petra Rudolf, and Antonija Grubišić-Čabo

Phys. Rev. Materials 8, 124004 (2024) - Published 26 December, 2024

Topological and Dirac materials

Reentrant topological phase in half-Heusler compounds

A. L. Araújo, F. Crasto de Lima, and A. Fazzio

Phys. Rev. Materials 8, 124201 (2024) - Published 5 December, 2024

Correlation between magnetic domain structures and quantum anomalous Hall effect in epitaxial $Mn {Bi}_{2} {Te}_{4}$ thin films

Yang Shi, Yunhe Bai, Yuanzhao Li, Yang Feng, Qiang Li, Huanyu Zhang, Yang Chen, Yitian Tong, Jianli Luan, Ruixuan Liu, Pengfei Ji, Zongwei Gao, Hangwen Guo, Jinsong Zhang, Yayu Wang, Xiao Feng, Ke He, Xiaodong Zhou, and Jian Shen

Phys. Rev. Materials 8, 124202 (2024) - Published 9 December, 2024

Real-space screening of quantum spin-Hall insulators

Alexander C. Tyner and Pallab Goswami

Phys. Rev. Materials 8, 124203 (2024) - Published 23 December, 2024

Magnetic, ferroelectric, and multiferroic materials

Giant magnetocaloric effect in the (Mn,Fe)NiSi-system

Sagar Ghorai, Rafael Martinho Vieira, Vitalii Shtender, Erna K. Delczeg-Czirjak, Heike C. Herper, Torbjörn Björkman, Sergei I. Simak, Olle Eriksson, Martin Sahlberg, and Peter Svedlindh

Phys. Rev. Materials 8, 124401 (2024) - Published 3 December, 2024

EDITORS' SUGGESTION

Origins of background signal effects in all-metallic non-local spin valves

A. J. Wright, D. Bromley, J. Watts, J. Ramberger, B. Kaiser, M. J. Erickson, P. A. Crowell, C. Leighton, and L. O’Brien

Phys. Rev. Materials 8, 124402 (2024) - Published 3 December, 2024

Anisotropic thermal conductivity of CuO

A. Akopyan, N. Prasai, A. Rebello, J. J. Neumeier, and J. L. Cohn

Phys. Rev. Materials 8, 124403 (2024) - Published 4 December, 2024

Structural properties of plastically deformed ${SrTiO}_{3}$ and ${KTaO}_{3}$

Issam Khayr, Sajna Hameed, Jakov Budić, Xing He, Richard Spieker, Ana Najev, Zinan Zhao, Li Yue, Matthew Krogstad, Feng Ye, Yaohua Liu, Raymond Osborn, Stephan Rosenkranz, Yuan Li, Damjan Pelc, and Martin Greven

Phys. Rev. Materials 8, 124404 (2024) - Published 4 December, 2024

Disorder-induced coexistence of itinerant low-spin and localized high-spin states of Mn in Rh-doped MnSi

V. N. Krasnorussky, A. V. Bokov, Z. N. Volkova, A. P. Gerashchenko, N. M. Chtchelkatchev, M. V. Magnitskaya, D. O. Skanchenko, E. V. Altynbaev, I. V. Alferev, D. A. Salamatin, V. A. Sidorov, A. V. Semeno, V. V. Brazhkin, and A. V. Tsvyashchenko

Phys. Rev. Materials 8, 124405 (2024) - Published 10 December, 2024

EDITORS' SUGGESTION

Evidence of antiferromagnetism in ultrathin metallic (111)-oriented ${LaNiO}_{3}$ films

Phys. Rev. Materials 8, 124406 (2024) - Published 11 December, 2024

Structural phase diagram for Sm-substituted ${BiFeO}_{3}$ multiferroics

V. Petkov, A. Zafar, L. Gallington, S. Shastri, and B. Aoun

Phys. Rev. Materials 8, 124407 (2024) - Published 13 December, 2024

Proximate electronic and magnetic phase transitions in ${CaFe}_{3} O_{5}$

Michael J. Milton, Branislav V. Hakala, Ka H. Hong, Maxim Avdeev, Chris D. Ling, Brendan J. Kennedy, Pascal Manuel, and J. Paul Attfield

Phys. Rev. Materials 8, 124408 (2024) - Published 16 December, 2024

Dopant-induced modulation of ferroelectricity in perovskite nitride ${LaWN}_{3}$

Harshvardhan Singh Deora and Awadhesh Narayan

Phys. Rev. Materials 8, 124409 (2024) - Published 16 December, 2024

Correlation between noncollinear spin orientation and lattice distortion in $N i_{0.4} M n_{0.6} Ti O_{3}$

Shang-Hsien Hsieh, Surajit Ghosh, Yu-Hui Liang, Hsiao-Tsu Wang, Chao-Hung Du, Jau-Wern Chiou, Chun-Ming Wu, Chin-Wei Wang, Yu-Cheng Shao, Jeng-Lung Chen, Chih-Wen Pao, Huang-Ming Tsai, Ting-Shan Chan, Wen-Bin Wu, Hong-Ji Lin, Jyh-Fu Lee, Asokan Kandasami, and Way-Faung Pong

Phys. Rev. Materials 8, 124410 (2024) - Published 20 December, 2024

Examining the role of antiferromagnetism in spin-charge conversion in chromium thin films via temperature-dependent measurements of the local spin Seebeck effect

S. M. Bleser, M. R. Natale, R. W. Greening, X. Fan, and B. L. Zink

Phys. Rev. Materials 8, 124411 (2024) - Published 23 December, 2024

Semiconducting materials

Breakdown of electron lone pair and insulator-to-metal transition in $Ti S_{3}$ under high pressure

A. R. Atique Ulla, P. Modak, and Ashok K. Verma

Phys. Rev. Materials 8, 124601 (2024) - Published 13 December, 2024

Superconducting materials

Growth and characterization of the ${La}_{3} {Ni}_{2} O_{7 - δ}$ thin films: Dominant contribution of the $d_{x^{2} - y^{2}}$ orbital at ambient pressure

Yuecong Liu, Mengjun Ou, Haifeng Chu, Huan Yang, Qing Li, Ying-Jie Zhang, and Hai-Hu Wen

Phys. Rev. Materials 8, 124801 (2024) - Published 16 December, 2024

Signature of $T_{c}$ above 111 K in Li-doped triple-layered cuprates ${Bi}_{1.6} {Pb}_{0.4} {Sr}_{2} {Ca}_{2} {({Cu}_{x} {Li}_{1 - x})}_{3} O_{10 + δ}$

N. K. Man and Huu T. Do

Phys. Rev. Materials 8, 124802 (2024) - Published 16 December, 2024

Transparent superconductivity in lithiated indium tin oxide thin films

Denisse Córdova Carrizales, Rain K. C. Wang, Johanna Nordlander, Grace A. Pan, Erika V. Ortega Ortiz, Larissa Little, Arthur McClelland, Ed Macomber, Austin J. Akey, Jarad A. Mason, Charles M. Brooks, Julia A. Mundy, and Ari B. Turkiewicz

Phys. Rev. Materials 8, 124803 (2024) - Published 27 December, 2024

Other electronic materials

Light-induced renormalization of the band structure of chiral tellurium

G. Gatti, N. Tancogne-Dejean, H. Hübener, U. De Giovannini, J. Dai, S. Polishchuk, Ph. Bugnon, F. Frassetto, L. Poletto, M. Chergui, M. Grioni, A. Rubio, M. Puppin, and A. Crepaldi

Phys. Rev. Materials 8, 125001 (2024) - Published 24 December, 2024

Observing structural distortions in a ${LaMnO}_{3}$ bilayer heterostructure on various [111] oriented substrates

Thies Jansen, Daen Jannis, Rosa Luca Bouwmeester, Zezhong Zhang, Menno Bokdam, Gertjan Koster, Nicolas Gauquelin, Johan Verbeeck, and Alexander Brinkman

Phys. Rev. Materials 8, 125002 (2024) - Published 30 December, 2024

Metamaterials, optical, photonic, and plasmonic materials

Novel exciton behavior in low-dimensional polarized MoSSe/GaN heterostructures: A first-principles study

Jifeng Luo, Dawei Deng, Qingxia Ge, Nicola Seriani, Wen-Jin Yin, and Ralph Gebauer

Phys. Rev. Materials 8, 125201 (2024) - Published 16 December, 2024

Materials for energy harvesting, storage, and generation

Hydrostatic pressure effect on structural and transport properties of co-existing layered and disordered rock-salt phase of ${Li}_{x} {CoO}_{2}$

Thiagarajan Maran, Anil Jain, Muthukumaran Sundaramoorthy, Aditya Prasad Roy, Boby Joseph, Govindaraj Lingannan, Ashwin Mohan, Dipanshu Bansal, S. M. Yusuf, and Arumugam Sonachalam

Phys. Rev. Materials 8, 125401 (2024) - Published 2 December, 2024

Soft, molecular, and amorphous materials

Theory of polymers in binary solvent solutions: Mean-field free energy and phase behavior

Davide Marcato, Achille Giacometti, Amos Maritan, and Angelo Rosa

Phys. Rev. Materials 8, 125601 (2024) - Published 27 December, 2024

Materials for catalysis and electrochemistry

Spectrofluorometric evidence for the presence of peroxo moieties on oxygen-deficient $V_{2} O_{5}$ nanostructures

Sangyeon Lee, Qi Wang, and Vidhya Chakrapani

Phys. Rev. Materials 8, 125801 (2024) - Published 16 December, 2024

Materials for Quantum Technologies

First-principles investigation of elastic, vibrational, and thermodynamic properties of kagome metals ${CsM}_{3} {Te}_{5}$ (M = Ti, Zr, Hf)

Yifan Wei, Arjyama Bordoloi, Chaon-En (Aaron) Chuang, and Sobhit Singh

Phys. Rev. Materials 8, 126201 (2024) - Published 27 December, 2024