Volume 7, Issue 1

January 2023

Browse Issues:

HIGHLIGHTED ARTICLES

EDITORS' SUGGESTION

Hedgehog orbital texture in $p$ -type tellurium and the antisymmetric nonreciprocal Hall response

Gabriele P. Maruggi, Jaime Ferreira, Elisa Baggio-Saitovitch, Carsten Enderlein, and Marcello B. Silva Neto

Phys. Rev. Materials 7, 014204 (2023) - Published 24 January, 2023

What are Weyl fermions? How do they arise in semiconductors? Which conditions make possible their observation and what signatures do they leave in transport? The authors thoroughly address all these questions in tellurium. Weyl fermions are hedgehogs in reciprocal space, namely, their orbital moments are parallel to their wave vectors. They arise in time reversal invariant semiconductors that feature lack of inversion symmetry. They can be observed in optically active, spatially dispersive media. They lead to two novel, antisymmetric, nonreciprocal Hall responses: the anomalous and planar Hall effects, herein fully characterized theoretically and measured experimentally via Hall transport.

EDITORS' SUGGESTION

LETTER

Charge-induced phase transition in encapsulated $Hf {Te}_{2}$ nanoribbons

Derek Popple, Mehmet Dogan, Tony Vo Hoang, Scott Stonemeyer, Peter Ercius, Karen C. Bustillo, Marvin Cohen, and Alex Zettl

Phys. Rev. Materials 7, L013001 (2023) - Published 4 January, 2023

Reversibly altering the physical structure of a material on-demand can lead to direct manipulation of its electronic properties. In this work a localized electron beam is used to switch regions of nanotube-encapsulated HfTe $_{2}$ nanoribbons between the metallic 1T phase and the previously experimentally inaccessible semiconducting 1H phase. The change is observed in-situ in a high-resolution transmission electron microscope. Complementary theoretical studies provide details of the electronic structure of each phase and the phase change energetics.

REVIEW ARTICLES

Polar metals taxonomy for materials classification and discovery

Daniel Hickox-Young, Danilo Puggioni, and James M. Rondinelli

Phys. Rev. Materials 7, 010301 (2023) - Published 9 January, 2023

Recent milestones in the synthesis and characterization of polar metals have contributed to a rapidly growing field of research, rich in materials physics and potential applications. The burgeoning interest, however, has been accompanied by varied and sometimes inconsistent terminology, inhibiting clear communication and revealing fundamental tensions between theoretical descriptions and microscopic materials models. The authors review the frontier of polar metals research from the perspectives of theory, experiment, and simulation, and introduce a uniform taxonomy for the classification of materials combining broken inversion symmetry and metallic conductivity. The authors use the framework to establish a new database of such materials and highlight opportunities for the discovery of novel polar metals.

LETTERS

Magnetic, ferroelectric, and multiferroic materials

LETTER

Stability of ferroelectric bubble domains

Vivasha Govinden, Suyash Rijal, Qi Zhang, Yousra Nahas, Laurent Bellaiche, Nagarajan Valanoor, and Sergei Prokhorenko

Phys. Rev. Materials 7, L011401 (2023) - Published 11 January, 2023

Nanomaterials

EDITORS' SUGGESTION

LETTER

Charge-induced phase transition in encapsulated $Hf {Te}_{2}$ nanoribbons

Derek Popple, Mehmet Dogan, Tony Vo Hoang, Scott Stonemeyer, Peter Ercius, Karen C. Bustillo, Marvin Cohen, and Alex Zettl

Phys. Rev. Materials 7, L013001 (2023) - Published 4 January, 2023

ARTICLES

Crystal growth, crystallization, and kinetics

Self-selecting vapor growth of transition-metal-halide single crystals

J.-Q. Yan and M. A. McGuire

Phys. Rev. Materials 7, 013401 (2023) - Published 23 January, 2023

Influence of crystalline electric field on the magnetic properties of ${CeCd}_{3} X_{3} (X = P, As)$

Obinna P. Uzoh, Suyoung Kim, and Eundeok Mun

Phys. Rev. Materials 7, 013402 (2023) - Published 24 January, 2023

Atomistic simulations of diffusion in $γ^{'}$ -strengthened Co-based superalloys and its connection to selective alumina formation in early-stage oxidation

Lin Qin, Dorota Kubacka, Erdmann Spiecker, Ralf Drautz, and Jutta Rogal

Phys. Rev. Materials 7, 013403 (2023) - Published 26 January, 2023

Structural and mechanical properties

Elastic interactions of plastic events in strained amorphous solids before yield

J. Duan, Y. J. Wang, L. H. Dai, and M. Q. Jiang

Phys. Rev. Materials 7, 013601 (2023) - Published 3 January, 2023

Revealing the effect of medium-range structure on silicate glass hardness

Ying Shi, Binghui Deng, Jörg Neuefeind, Qi Zhou, Morten M. Smedskjaer, Stephen R. Elliott, and Mathieu Bauchy

Phys. Rev. Materials 7, 013602 (2023) - Published 4 January, 2023

DFT calculations of carrier-trapping effects on atomic structures of 30° partial dislocation cores in zincblende II-VI group zinc compounds

Sena Hoshino, Yu Oshima, Tatsuya Yokoi, Atsutomo Nakamura, and Katsuyuki Matsunaga

Phys. Rev. Materials 7, 013603 (2023) - Published 17 January, 2023

Dynamic length scale and weakest link behavior in crystal plasticity

Dénes Berta, Gábor Péterffy, and Péter Dusán Ispánovity

Phys. Rev. Materials 7, 013604 (2023) - Published 19 January, 2023

Avalanches and rate effects in strain-controlled discrete dislocation plasticity of Al single crystals

David Kurunczi-Papp and Lasse Laurson

Phys. Rev. Materials 7, 013605 (2023) - Published 24 January, 2023

Role of thermal expansion anisotropy on the elastocaloric effect of shape memory alloys with slim-hysteresis superelasticity

Qiao Li, Aslan Ahadi, Yusuke Onuki, and Qingping Sun

Phys. Rev. Materials 7, 013606 (2023) - Published 31 January, 2023

Development of new methods for materials

Short-range order and compositional phase stability in refractory high-entropy alloys via first-principles theory and atomistic modeling: NbMoTa, NbMoTaW, and VNbMoTaW

Christopher D. Woodgate and Julie B. Staunton

Phys. Rev. Materials 7, 013801 (2023) - Published 30 January, 2023

Solid state reduction of nickelate thin films

Wenzheng Wei, Kidae Shin, Hawoong Hong, Yeongjae Shin, Arashdeep Singh Thind, Yingjie Yang, Robert F. Klie, Frederick J. Walker, and Charles H. Ahn

Phys. Rev. Materials 7, 013802 (2023) - Published 31 January, 2023

Two-dimensional materials

Electronic and optical properties of Janus-like hexagonal monolayer materials of group IV-VI

Rafael Barbosa, Danilo Kuritza, Gabriel Perin, R. H. Miwa, R. B. Pontes, and J. E. Padilha

Phys. Rev. Materials 7, 014001 (2023) - Published 11 January, 2023

Band gap opening in graphene by hybridization with Au (001) reconstructed surfaces

Tomo-o Terasawa, Kazuya Matsunaga, Naoki Hayashi, Takahiro Ito, Shin-ichiro Tanaka, Satoshi Yasuda, and Hidehito Asaoka

Phys. Rev. Materials 7, 014002 (2023) - Published 11 January, 2023

Evolution of the spin dynamics in the van der Waals system $M_{2} P_{2} S_{6}$ ( $M_{2} = Mn_{2}$ , MnNi, ${Ni}_{2}$ ) series probed by electron spin resonance spectroscopy

Y. Senyk, J. J. Abraham, Y. Shemerliuk, S. Selter, S. Aswartham, B. Büchner, V. Kataev, and A. Alfonsov

Phys. Rev. Materials 7, 014003 (2023) - Published 17 January, 2023

Using ferroelastic variant switching to tune ferromagnetic properties of $1 T'$ $Cr X_{2}$ $(X = S, Se)$ for local strain modulated spin valves

Kaiyun Chen, Junkai Deng, Wangtu Huo, Dongxiao Kan, Qian Shi, Mengshan Song, Xi Zhao, Sen Yang, and Jefferson Zhe Liu

Phys. Rev. Materials 7, 014004 (2023) - Published 19 January, 2023

Alloyed transition-metal dichalcogenides $({Mo}_{1 - x} W_{x} {Se}_{2})$ through a hydrothermal synthesis route: Probing layer-number-dependent band energies and band-gap bowing via scanning tunneling spectroscopy

Arpan Bera, Biswajit Kundu, Uttam Kumar Ghorai, and Amlan J. Pal

Phys. Rev. Materials 7, 014005 (2023) - Published 26 January, 2023

Theoretical prediction of two-dimensional II-V compounds

Lucia G. Arellano, Takayuki Suga, Taichi Hazama, Taichi Takashima, Miguel Cruz-Irisson, and Jun Nakamura

Phys. Rev. Materials 7, 014006 (2023) - Published 27 January, 2023

Hundreds of new, stable, one-dimensional materials from a generative machine learning model

Hadeel Moustafa, Peder Meisner Lyngby, Jens Jørgen Mortensen, Kristian S. Thygesen, and Karsten W. Jacobsen

Phys. Rev. Materials 7, 014007 (2023) - Published 30 January, 2023

Facile integration of giant exchange bias in ${Fe}_{5} Ge {Te}_{2} / oxide$ heterostructures by atomic layer deposition

Jierui Liang, Shanchuan Liang, Ti Xie, Andrew F. May, Thomas Ersevim, Qinqin Wang, Hyobin Ahn, Changgu Lee, Xixiang Zhang, Jian-Ping Wang, Michael A. McGuire, Min Ouyang, and Cheng Gong

Phys. Rev. Materials 7, 014008 (2023) - Published 31 January, 2023

Efficient computational design of two-dimensional van der Waals heterostructures: Band alignment, lattice mismatch, and machine learning

Kamal Choudhary, Kevin F. Garrity, Steven T. Hartman, Ghanshyam Pilania, and Francesca Tavazza

Phys. Rev. Materials 7, 014009 (2023) - Published 31 January, 2023

Electronic and mechanical properties of $Sc X I$ $(X = S, Se)$ monolayers and their heterostructures

Lixiang Rao, Gang Tang, and Jiawang Hong

Phys. Rev. Materials 7, 014010 (2023) - Published 31 January, 2023

Topological and Dirac materials

Weyl–Kondo semimetal behavior in the chiral structure phase of ${Ce}_{3} {Rh}_{4} {Sn}_{13}$

Kazuaki Iwasa, Kazuya Suyama, Seiko Ohira-Kawamura, Kenji Nakajima, Stéphane Raymond, Paul Steffens, Akira Yamada, Tatsuma D. Matsuda, Yuji Aoki, Ikuto Kawasaki, Shin-ichi Fujimori, Hiroshi Yamagami, and Makoto Yokoyama

Phys. Rev. Materials 7, 014201 (2023) - Published 9 January, 2023

Single pair of type-III Weyl points half-metals: ${BaNiIO}_{6}$ as an example

Guangqian Ding, Jianhua Wang, Zhi-Ming Yu, Zeying Zhang, Wenhong Wang, and Xiaotian Wang

Phys. Rev. Materials 7, 014202 (2023) - Published 13 January, 2023

Energy-overlap of the Dirac surface state with bulk bands in ${SnBi}_{2} {Te}_{4}$

S. V. Eremeev, O. De Luca, P. M. Sheverdyaeva, L. Ferrari, A. V. Matetskiy, G. Di Santo, L. Petaccia, C. Crovara, T. Caruso, M. Papagno, R. G. Agostino, Z. S. Aliev, P. Moras, C. Carbone, E. V. Chulkov, and D. Pacilè

Phys. Rev. Materials 7, 014203 (2023) - Published 23 January, 2023

EDITORS' SUGGESTION

Hedgehog orbital texture in $p$ -type tellurium and the antisymmetric nonreciprocal Hall response

Gabriele P. Maruggi, Jaime Ferreira, Elisa Baggio-Saitovitch, Carsten Enderlein, and Marcello B. Silva Neto

Phys. Rev. Materials 7, 014204 (2023) - Published 24 January, 2023

Topological and nodal superconductor kagome magnesium triboride

Yipeng An, Juncai Chen, Zhengxuan Wang, Jie Li, Shijing Gong, Chunlan Ma, Tianxing Wang, Zhaoyong Jiao, Ruqian Wu, Jiangping Hu, and Wuming Liu

Phys. Rev. Materials 7, 014205 (2023) - Published 27 January, 2023

Magnetic, ferroelectric, and multiferroic materials

Relationship between magnetoresistance behavior and magnetic states in intercalated compounds ${Fe}_{x} {TiS}_{2}$

N. V. Selezneva, E. M. Sherokalova, A. Podlesnyak, M. Frontzek, and N. V. Baranov

Phys. Rev. Materials 7, 014401 (2023) - Published 6 January, 2023

Magnetic properties and coupled spin-phonon behavior in quasi-one-dimensional screw-chain compound $Ba {Mn}_{2} V_{2} O_{8}$

Arkadeb Pal, Khyati Anand, T. W. Yen, Atanu Patra, A. Das, S. M. Huang, E. Blundo, A. Polimeni, H. D. Yang, and Sandip Chatterjee

Phys. Rev. Materials 7, 014402 (2023) - Published 10 January, 2023

Incommensurate helimagnetic structure of $Ba {({Fe}_{1 − x} {Sc}_{x})}_{12} O_{19}$ determined by single-crystal neutron diffraction

Seiya Tanaka, Ryoji Kiyanagi, Yoshihisa Ishikawa, Yasushi Amako, Taku Iiyama, Ryusuke Futamura, Kenichi Maruyama, and Shigenori Utsumi

Phys. Rev. Materials 7, 014403 (2023) - Published 11 January, 2023

Orbital correlations in ultrathin films of late transition metals

Sergei Ivanov, Joshua Peacock, and Sergei Urazhdin

Phys. Rev. Materials 7, 014404 (2023) - Published 13 January, 2023

Insight into the mechanism of bidirectional magnetoelectric effects unveil cycloidal/uncompensated hybrid antiferromagnetic multiferroics

Tomohiro Ichinose and Hiroshi Naganuma

Phys. Rev. Materials 7, 014405 (2023) - Published 17 January, 2023

Enhanced magnetostriction through dilute Ce doping of Fe-Ga

Alexander A. Baker, Alfred Amon, Emily E. Moore, Hunter B. Henderson, Jibril Shittu, Connor J. Rietema, Aurelien Perron, and Scott K. McCall

Phys. Rev. Materials 7, 014406 (2023) - Published 17 January, 2023

Suppression of the antiferromagnetic order by Zn doping in a possible Kitaev material ${Na}_{2} {Co}_{2} {TeO}_{6}$

Zhongtuo Fu, Ruokai Xu, Song Bao, Yanyan Shangguan, Xin Liu, Zijuan Lu, Yingqi Chen, Shuhan Zheng, Yongjun Zhang, Meifeng Liu, Xiuzhang Wang, Hong Li, Huiqian Luo, Jun-Ming Liu, Zhen Ma, and Jinsheng Wen

Phys. Rev. Materials 7, 014407 (2023) - Published 19 January, 2023

Large magnetic anisotropy and magnetostriction in thin films of ${CoV}_{2} O_{4}$

Sangsoo Kim, Christie J. Thompson, Yan Xin, and Christianne Beekman

Phys. Rev. Materials 7, 014408 (2023) - Published 20 January, 2023

Early-stage growth of GeTe on Si(111)-Sb

Boris Croes, Fabien Cheynis, Yannick Fagot-Revurat, Pierre Müller, Stefano Curiotto, and Frédéric Leroy

Phys. Rev. Materials 7, 014409 (2023) - Published 23 January, 2023

Combined ab initio and experimental screening of phase stabilities in the Ce-Fe-Ti- $X$ system ( $X = 3 d$ and $4 d$ metals)

Halil İbrahim Sözen, Semih Ener, Fernando Maccari, Bahar Fayyazi, Oliver Gutfleisch, Jörg Neugebauer, and Tilmann Hickel

Phys. Rev. Materials 7, 014410 (2023) - Published 24 January, 2023

Carbon-induced magnetic properties and anomalous Hall effect in ${Co}_{2} {Mn}_{2} C$ thin films with $L 1_{0}$ -like structures

Shinji Isogami, Yohei Kota, Hideyuki Yasufuku, Keiji Oyoshi, Masahiko Tanaka, and Yukiko K. Takahashi

Phys. Rev. Materials 7, 014411 (2023) - Published 25 January, 2023

Optical spectroscopy of bulk single crystals of ${VO}_{x}$ and ${TiO}_{x}$

Taishi Yoshida, Kaoru Akimoto, Asuka Yanagida, Suguru Yano, Haruka Matsumoto, Takumi Iwata, Ryota Yoshimura, and Takuro Katsufuji

Phys. Rev. Materials 7, 014412 (2023) - Published 30 January, 2023

Discerning element and site-specific fluctuations of the charge-orbital order in ${Fe}_{3} O_{4}$ below the Verwey transition

Nelson Hua, Jianheng Li, Stjepan B. Hrkac, Andi Barbour, Wen Hu, Claudio Mazzoli, Stuart Wilkins, Roopali Kukreja, Eric E. Fullerton, and Oleg G. Shpyrko

Phys. Rev. Materials 7, 014413 (2023) - Published 31 January, 2023