Physical Review Materials - December 2023

Physical Review Materials View Email Online   Volume 7, Issue 11 November 2023   View Issue   Advertisement Upcoming Physical Review Journal Club session December 4 | 9:00 a.m. ET Reza Rouzegar and Alexander Chekhov (Freie Universität Berlin) on the Physical Review Applied paper: "Broadband Spintronic Terahertz Source with Peak Electric Fields Exceeding 1.5 MV/cm" Registration is free and a video recording will be provided to all registrants.     Advertisement Open Access Energy Materials research via PRX Energy Tutorial Phase-Boundary Mapping to Engineer Defects in Thermoelectric Materials Leah Borgsmiller, Duncan Zavanelli, and G. Jeffrey Snyder PRX Energy 1, 022001 (2022) – Published 15 September 2022   Oxygen-Redox Activity in Non-Lithium-Excess Tungsten-Doped LiNiO2 Cathode A.S. Menon, B.J. Johnston, S.G. Booth, L. Zhang, K. Kress, B.E. Murdock, G. Paez Fajardo, N.N. Anthonisamy, N. Tapia-Ruiz, S. Agrestini, M. Garcia-Fernandez, K. Zhou, P.K. Thakur, T.L. Lee, A.J. Nedoma, S.A. Cussen, and L.F.J. Piper PRX Energy 2, 013005 (2023) – Published 13 March 2023   Sign up to receive PRX Energy monthly alerts   Advertisement Build your on-campus physics community with help from a Women in Physics Group Grant The APS Committee on the Status of Women in Physics (CSWP) is now accepting proposals from undergraduate and graduate students who are interested in creating new WiP groups or enhancing existing ones. The deadline for proposals is January 26, 2024. Learn more.     Not an APS member? Join today to start connecting with a community of more than 50,000 physicists.   HIGHLIGHTED ARTICLES Featured in Physics Tailoring hierarchical nanoporous gold on dual length scales Lukas Riedel, Jürgen Markmann, Jörg Weissmüller, and Shan Shi Phys. Rev. Materials 7, 116001 (2023) – Published 15 November 2023 Synopsis:Tailoring the Sizes of Pores in Nanoporous Gold Researchers can fabricate gold foams that feature small and large pores with specific sizes.     Editors' Suggestion Vacancy-tuned magnetism in LaMnxSb2 Tyler J. Slade, Aashish Sapkota, John M. Wilde, Qiang Zhang, Lin-Lin Wang, Saul H. Lapidus, Juan Schmidt, Thomas Heitmann, Sergey L. Bud'ko, and Paul C. Canfield Phys. Rev. Materials 7, 114203 (2023) – Published 29 November 2023 The AMnPn2 (A = Alkali earth, Pn = Sb, Bi) materials are widely explored as candidate magnetic topological semimetals. Replacing A with a rare-earth atom (R) produces a comparably underinvestigated family, RMnxPn2, in which charge balance favors Mn vacancies (x 1). Here, the authors map out the compositional dependence of the magnetic properties of LaMnxSb2 as a function of the Mn vacancy concentration. They grow single crystals with x = 0.74-0.97 and find that LaMnxSb2 has an exceptionally rich magnetic phase diagram, with six different antiferromagnetic phases and two different crystal structures, depending on T and x. The highly tunable nature of LaMnxSb2 suggests this material may be a good model system for understanding the effects of disorder on magnetic intermetallic compounds.     REVIEW ARTICLES Origin of polytypism in block copolymer materials Sangwoo Lee, Juhong Ahn, Liwen Chen, and Patryk Wąsik Phys. Rev. Materials 7, 110301 (2023) – Published 16 November 2023 Close-packed structures of spherical particles describe the ordered lattices of many systems, such as oranges stacked on grocery stands, densely packed colloids, and solid elements. However, stabilizing a target close-packed structure of a material system has been a puzzling problem. This research update overviews the early and recent progress on the close-packed structures in block copolymer materials and attempts to identify the unrealized role of polymer chains as a structure director in polytypic crystal systems. The polymer chains stabilize polytypes with larger local interstitial space groups, allowing higher conformational entropy of the chains.     LETTERS Crystal growth, crystallization, and kinetics Letter Local-concentration-based descriptor predicting the stacking fault energy of refractory high-entropy alloys Cong Ma and Wang Gao Phys. Rev. Materials 7, L110401 (2023) – Published 22 November 2023   Magnetic, ferroelectric, and multiferroic materials Letter Oxide layer dependent orbital torque efficiency in ferromagnet/Cu/oxide heterostructures Junyeon Kim, Jun Uzuhashi, Masafumi Horio, Tomoaki Senoo, Dongwook Go, Daegeun Jo, Toshihide Sumi, Tetsuya Wada, Iwao Matsuda, Tadakatsu Ohkubo, Seiji Mitani, Hyun-Woo Lee, and YoshiChika Otani Phys. Rev. Materials 7, L111401 (2023) – Published 22 November 2023   Semiconducting materials Letter Role of local atomic short-range order distribution in alloys: Why it matters in Si-Ge-Sn alloys Xiaochen Jin, Shunda Chen, Christopher Lemkan, and Tianshu Li Phys. Rev. Materials 7, L111601 (2023) – Published 13 November 2023   Superconducting materials Letter Superconducting pairing symmetry in MoTe2 M. M. Piva, L. O. Kutelak, R. Borth, Y. Liu, C. Petrovic, R. D. dos Reis, and M. Nicklas Phys. Rev. Materials 7, L111801 (2023) – Published 16 November 2023   ARTICLES Structural and mechanical properties Structural origin of deformation and dynamical heterogeneity in metallic glasses Zeng-Yu Yang and Lan-Hong Dai Phys. Rev. Materials 7, 113601 (2023) – Published 3 November 2023   Structural prediction of Fe-Mg-O compounds at super-Earth's pressures Yimei Fang, Yang Sun, Renhai Wang, Feng Zheng, Feng Zhang, Shunqing Wu, Cai-Zhuang Wang, Renata M. Wentzcovitch, and Kai-Ming Ho Phys. Rev. Materials 7, 113602 (2023) – Published 6 November 2023   Theoretical models of double twinning in magnesium Martina Ruffino and Anthony T. Paxton Phys. Rev. Materials 7, 113603 (2023) – Published 9 November 2023   Phase stability and micromechanical properties of TiZrHf-based refractory high-entropy alloys: A first-principles study Xiaoqing Li Phys. Rev. Materials 7, 113604 (2023) – Published 13 November 2023   Effect of grain-boundary character on segregation of vacancies: Thermodynamic aspects Subham Mridha, Abhik Choudhury, and Karthikeyan Subramanian Phys. Rev. Materials 7, 113605 (2023) – Published 14 November 2023   Efficient descriptors and active learning for grain boundary segregation Christoph Dösinger, Max Hodapp, Oleg Peil, Alexander Reichmann, Vsevolod Razumovskiy, Daniel Scheiber, and Lorenz Romaner Phys. Rev. Materials 7, 113606 (2023) – Published 15 November 2023   Thermodynamic stability of β-phases in Zr-Nb alloys Vidur Tuli, Patrick Burr, Antoine Claisse, and Claudio Cazorla Phys. Rev. Materials 7, 113607 (2023) – Published 16 November 2023   Crystal plasticity finite element simulation of lattice rotation and x-ray diffraction during laser shock compression of tantalum P. Avraam, D. McGonegle, P. G. Heighway, C. E. Wehrenberg, E. Floyd, A. J. Comley, J. M. Foster, S. D. Rothman, J. Turner, S. Case, and J. S. Wark Phys. Rev. Materials 7, 113608 (2023) – Published 27 November 2023   Development of new methods for materials Atomic cluster expansion for a general-purpose interatomic potential of magnesium Eslam Ibrahim, Yury Lysogorskiy, Matous Mrovec, and Ralf Drautz Phys. Rev. Materials 7, 113801 (2023) – Published 17 November 2023   Two-dimensional materials Rich structural polymorphism of monolayer polymeric C60 from cluster rotation Xueao Li, Fan Zhang, Xuefei Wang, Weiwei Gao, and Jijun Zhao Phys. Rev. Materials 7, 114001 (2023) – Published 3 November 2023   Band-filling-controlled magnetism from transition metal intercalation in N1/3NbS2 revealed with first-principles calculations Z. Hawkhead, T. J. Hicken, N. P. Bentley, B. M. Huddart, S. J. Clark, and T. Lancaster Phys. Rev. Materials 7, 114002 (2023) – Published 6 November 2023   Probing the uniaxial strain-dependent valley drift and Berry curvature in monolayer MoSi2N4 Sajjan Sheoran, Manjari Jain, Ruman Moulik, and Saswata Bhattacharya Phys. Rev. Materials 7, 114003 (2023) – Published 13 November 2023   Topological and Dirac materials Creation of a p-type TlBiSe2 using photo-induced doping Ryota Itaya, Yuichiro Toichi, Ryuya Nakanishi, Narunori Ebara, Yoshitaka Nakata, Kentaro Kasai, Kenta Kuroda, Masashi Arita, Isamu Yamamoto, Keisuke Fukutani, and Kazuyuki Sakamoto Phys. Rev. Materials 7, 114201 (2023) – Published 1 November 2023   Unraveling the complex electronic and topological landscape of triclinic enantiomorphic Nb PxAs1−x alloys through first-principles analysis Samira Sadat Nourizadeh, Aminollah Vaez, and Daryoosh Vashaee Phys. Rev. Materials 7, 114202 (2023) – Published 27 November 2023   Editors' Suggestion Vacancy-tuned magnetism in LaMnxSb2 Tyler J. Slade, Aashish Sapkota, John M. Wilde, Qiang Zhang, Lin-Lin Wang, Saul H. Lapidus, Juan Schmidt, Thomas Heitmann, Sergey L. Bud'ko, and Paul C. Canfield Phys. Rev. Materials 7, 114203 (2023) – Published 29 November 2023 The AMnPn2 (A = Alkali earth, Pn = Sb, Bi) materials are widely explored as candidate magnetic topological semimetals. Replacing A with a rare-earth atom (R) produces a comparably underinvestigated family, RMnxPn2, in which charge balance favors Mn vacancies (x 1). Here, the authors map out the compositional dependence of the magnetic properties of LaMnxSb2 as a function of the Mn vacancy concentration. They grow single crystals with x = 0.74-0.97 and find that LaMnxSb2 has an exceptionally rich magnetic phase diagram, with six different antiferromagnetic phases and two different crystal structures, depending on T and x. The highly tunable nature of LaMnxSb2 suggests this material may be a good model system for understanding the effects of disorder on magnetic intermetallic compounds.     Magnetic, ferroelectric, and multiferroic materials Alternative explanation for the relaxor ferroelectric behavior in FeTiNbO6 rutile ceramics: The influence of electrode contacts Thomas E. Hooper, Tsz Kin Chan, and Derek C. Sinclair Phys. Rev. Materials 7, 114401 (2023) – Published 2 November 2023   Comparative study of the magnetism in Mn3RhGe and related compound Mn3IrSi Amelia E. Hall, Pascal Manuel, Dmitry D. Khalyavin, Fabio Orlandi, Daniel A. Mayoh, Lieh-Jeng Chang, Yu-Sheng Chen, David G. C. Jonas, Martin R. Lees, and Geetha Balakrishnan Phys. Rev. Materials 7, 114402 (2023) – Published 3 November 2023   Sample-dependent and sample-independent thermal transport properties of α−RuCl3 Heda Zhang, Andrew F. May, Hu Miao, Brian C. Sales, David G. Mandrus, Stephen E. Nagler, Michael A. McGuire, and Jiaqiang Yan Phys. Rev. Materials 7, 114403 (2023) – Published 13 November 2023   Exploring magnetism of lead-free halide double perovskites: A high-throughput first-principles study Utkarsh Singh, Johan Klarbring, Igor A. Abrikosov, and Sergei I. Simak Phys. Rev. Materials 7, 114404 (2023) – Published 16 November 2023   Stabilization of ferroelectric Hf0.5Zr0.5O2 epitaxial films via monolayer reconstruction driven by valence-dependent interfacial redox reaction and intralayer electron transfer Yufan Shen, Mitsutaka Haruta, I-Ching Lin, Lingling Xie, Daisuke Kan, and Yuichi Shimakawa Phys. Rev. Materials 7, 114405 (2023) – Published 16 November 2023   Multiferroicity in Ga-substituted LuFeO3: A first-principles study Xin Wang, Yehui Zhang, Shiji Xu, Xiang Ming Chen, Laurent Bellaiche, and Bin Xu Phys. Rev. Materials 7, 114406 (2023) – Published 16 November 2023   Synergetic boost of functional properties near critical end points in antiferroelectric systems Vida Jurečič, Lovro Fulanović, Jurij Koruza, Vid Bobnar, and Nikola Novak Phys. Rev. Materials 7, 114407 (2023) – Published 16 November 2023   Quasi-one-dimensional Pb5Re3O15: A 5d realization of the Heisenberg antiferromagnetic spin-1/2 chain Kelly M. Powderly, Qiang Zhang, Kasey P. Devlin, Xin Gui, Danrui Ni, Weiwei Xie, and R. J. Cava Phys. Rev. Materials 7, 114408 (2023) – Published 20 November 2023   Formation of spin-orbital entangled two-dimensional electron gas in layer delta-doped bilayer iridate LaδSr3Ir2O7 Amit Chauhan, Arijit Mandal, and B. R. K. Nanda Phys. Rev. Materials 7, 114409 (2023) – Published 22 November 2023   53Cr solid-state nuclear magnetic resonance: New observations and comprehensive correlations as a probe of valence and magnetic states Timothy J. Bastow, Anita J. Hill, Katherine M. Nairn, and Mark E. Smith Phys. Rev. Materials 7, 114410 (2023) – Published 27 November 2023   Superconducting materials Doubling the superconducting transition temperature of ultraclean wafer-scale aluminum nanofilms Ching-Chen Yeh, Thi-Hien Do, Pin-Chi Liao, Chia-Hung Hsu, Yi-Hsin Tu, Hsin Lin, T.-R. Chang, Siang-Chi Wang, Yu-Yao Gao, Yu-Hsun Wu, Chu-Chun Wu, Yu An Lai, Ivar Martin, Sheng-Di Lin, Christos Panagopoulos, and Chi-Te Liang Phys. Rev. Materials 7, 114801 (2023) – Published 3 November 2023   Theoretical prediction of superconductivity in two-dimensional hydrogenated metal diboride: M2B2H (M=Al, Mg, Mo, W) Yu-Lin Han, Hao-Dong Liu, Na Jiao, Meng-Meng Zheng, Hong-Yan Lu, Bao-Tian Wang, and Ping Zhang Phys. Rev. Materials 7, 114802 (2023) – Published 3 November 2023   Nature of the magnetic coupling in infinite-layer nickelates versus cuprates Armin Sahinovic, Benjamin Geisler, and Rossitza Pentcheva Phys. Rev. Materials 7, 114803 (2023) – Published 6 November 2023   Metallization and spin fluctuations in Cu-doped lead apatite Yang Sun, Kai-Ming Ho, and Vladimir Antropov Phys. Rev. Materials 7, 114804 (2023) – Published 8 November 2023   Refined phase diagram and kagome-lattice superconductivity in Mg-Si system Da-Bao Zha, Peng Jiang, Hong-Mei Huang, and Yan-Ling Li Phys. Rev. Materials 7, 114805 (2023) – Published 20 November 2023   Other electronic materials Transition from electron-dominated to phonon-driven thermal transport in tungsten under extreme pressures Niraj Bhatt, Pravin Karna, Sandip Thakur, and Ashutosh Giri Phys. Rev. Materials 7, 115001 (2023) – Published 8 November 2023   Exploring the A-V-Sb landscape beyond AV3Sb5: A case study on the KV6Sb6 Kagome compound Aishwarya Mantravadi, Volodymyr Gvozdetskyi, Arka Sarkar, Yaroslav Mudryk, and Julia V. Zaikina Phys. Rev. Materials 7, 115002 (2023) – Published 15 November 2023   Metamaterials, optical, photonic, and plasmonic materials Wide-angle and high-efficiency acoustic retroreflectors enabled by many-objective optimization algorithm and deep learning models Zhanhang Du and Jun Mei Phys. Rev. Materials 7, 115201 (2023) – Published 3 November 2023   Materials for energy harvesting, storage, and generation Revisiting the lattice dynamics of cubic yttria-stabilized zirconia Shelby R. Turner, Stéphane Pailhès, Leila Ben-Mahfoud, Marc de Boissieu, Frédéric Bourdarot, Helmut Schober, Yvan Sidis, John-Paul Castellan, Andrea Piovano, Alexandre Ivanov, and Valentina M. Giordano Phys. Rev. Materials 7, 115401 (2023) – Published 7 November 2023   Structural changes in the lithium cobalt dioxide electrode: A combined approach with cluster expansion and Bayesian optimization Fumiaki Kuroda, Satoshi Hagiwara, and Minoru Otani Phys. Rev. Materials 7, 115402 (2023) – Published 13 November 2023   Soft, molecular, and amorphous materials Simple generic picture of tensile toughness in solid polymer blends Debashish Mukherji, Shubham Agarwal, Tiago Espinosa de Oliveira, Céline Ruscher, and Jörg Rottler Phys. Rev. Materials 7, 115601 (2023) – Published 6 November 2023   Minimal and versatile description of diffusion and swelling in polymer-solvent systems: Modeling and experimental validation Giuseppe Porpora, Andrea Gabriele, Raffaele Pastore, and Francesco Greco Phys. Rev. Materials 7, 115602 (2023) – Published 13 November 2023   Shear-induced stiffening in boehmite gels: A rheo-X-ray-scattering study Iana Sudreau, Marion Servel, Eric Freyssingeas, François Liénard, Szilvia Karpati, Stéphane Parola, Xavier Jaurand, Pierre-Yves Dugas, Lauren Matthews, Thomas Gibaud, Thibaut Divoux, and Sébastien Manneville Phys. Rev. Materials 7, 115603 (2023) – Published 14 November 2023   Expanding the window of the Frank-Kasper σ phase of block copolymer/homopolymer blend by selective incorporation of metal salt Meng-Zhe Chen, Chi-Huan Tung, Chun-Yu Chen, and Hsin-Lung Chen Phys. Rev. Materials 7, 115604 (2023) – Published 15 November 2023 Unlocking the Frank-Kasper phase in block copolymers represents a significant breakthrough, shedding light on the fundamental principles governing versatile particle arrangements across various size scales. Nevertheless, achieving this intricate phase is a challenging task that demands precise control of factors such as molecular weight, molecular architecture, and conformational asymmetry. Furthermore, the compositional window for this intricate packing is quite narrow. This study contributes a facile method for expanding the window of Frank-Kasper σ phase. By introducing a minute quantity of metal salt into the core of the micelle, the compositional and thermal windows of the Frank-Kasper phase is broadened significantly due to the collective effects of core enlargement and shift of the spherical phase boundary to higher core volume fraction.     Materials for catalysis and electrochemistry Enhanced catalytic activity in Nb-doped TiO2 for electrochemical oxygen reduction reaction Muhammed Fasil Puthiyaparambath and Raghu Chatanathodi Phys. Rev. Materials 7, 115801 (2023) – Published 8 November 2023   Orbital control of metal-to-insulator transition in high-entropy nickelates Ting Cui, Ting Lin, Qiao Jin, Shengru Chen, Haitao Hong, Qinghua Zhang, Yiyan Fan, Dongke Rong, Jiaou Wang, Can Wang, Lin Gu, Kuijuan Jin, Le Wang, and Er-Jia Guo Phys. Rev. Materials 7, 115802 (2023) – Published 14 November 2023   First-principles study of water adsorption monolayer on Pt(111): Adsorption energy and second-order nonlinear susceptibility Jun Haruyama, Toshiki Sugimoto, and Osamu Sugino Phys. Rev. Materials 7, 115803 (2023) – Published 29 November 2023   Nanomaterials Featured in Physics Tailoring hierarchical nanoporous gold on dual length scales Lukas Riedel, Jürgen Markmann, Jörg Weissmüller, and Shan Shi Phys. Rev. Materials 7, 116001 (2023) – Published 15 November 2023 Synopsis:Tailoring the Sizes of Pores in Nanoporous Gold Researchers can fabricate gold foams that feature small and large pores with specific sizes.       American Physical Society: 1 Physics Ellipse, College Park, MD 20740 ©2023 American Physical Society | All rights reserved   You are receiving this email because you are subscribed to Table of Content alerts. If you no longer wish to receive these emails, please update your preferences.