Volume 7, Issue 11

November 2023

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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

Researchers can fabricate gold foams that feature small and large pores with specific sizes.

EDITORS' SUGGESTION

Vacancy-tuned magnetism in ${LaMn}_{x} {Sb}_{2}$

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 $A$ MnPn $_{2}$ ( $A$ = 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, RMn $_{x}$ Pn $_{2}$ , in which charge balance favors Mn vacancies ( $x$ < 1). Here, the authors map out the compositional dependence of the magnetic properties of LaMnxSb $_{2}$ as a function of the Mn vacancy concentration. They grow single crystals with $x$ = 0.74-0.97 and find that LaMn $_{x}$ Sb $_{2}$ 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 LaMn $_{x}$ Sb $_{2}$ 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 ${MoTe}_{2}$

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 $C_{60}$ 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 $N_{1 / 3} {NbS}_{2}$ 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 ${MoSi}_{2} N_{4}$

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 ${TlBiSe}_{2}$ 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 $Nb P_{x} {As}_{1 - x}$ 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 ${LaMn}_{x} {Sb}_{2}$

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

Magnetic, ferroelectric, and multiferroic materials

Alternative explanation for the relaxor ferroelectric behavior in ${FeTiNbO}_{6}$ 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 ${Mn}_{3} RhGe$ and related compound ${Mn}_{3} IrSi$

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 $α − {RuCl}_{3}$

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 ${Hf}_{0.5} {Zr}_{0.5} O_{2}$ 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 $LuFe O_{3}$ : 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 ${Pb}_{5} {Re}_{3} O_{15}$ : A $5 d$ 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 ${La}_{δ} {Sr}_{3} {Ir}_{2} O_{7}$

Amit Chauhan, Arijit Mandal, and B. R. K. Nanda

Phys. Rev. Materials 7, 114409 (2023) - Published 22 November, 2023

${}^{53}{Cr}$ 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: $M_{2} B_{2} H (M = Al$ , 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 $A V_{3} {Sb}_{5}$ : A case study on the $K V_{6} {Sb}_{6}$ 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 ${TiO}_{2}$ 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

Researchers can fabricate gold foams that feature small and large pores with specific sizes.