Volume 7, Issue 10

October 2023

Browse Issues:

HIGHLIGHTED ARTICLES

EDITORS' SUGGESTION

Tuning the Curie temperature of a two-dimensional magnet/topological insulator heterostructure to above room temperature by epitaxial growth

Wenyi Zhou, Alexander J. Bishop, Xiyue S. Zhang, Katherine Robinson, Igor Lyalin, Ziling Li, Ryan Bailey-Crandell, Thow Min Jerald Cham, Shuyu Cheng, Yunqiu Kelly Luo, Daniel C. Ralph, David A. Muller, and Roland K. Kawakami

Phys. Rev. Materials 7, 104004 (2023) - Published 23 October, 2023

The heterostructures of 2D magnets and topological insulators are attractive candidates for quantum anomalous hall effect and highly-efficient spin-orbit torque switching. To better study these phenomena, it will be crucial to synthesize epitaxial heterostructures for scalability while maintaining high-quality interfaces to preserve the topological surface states and having the Curie temperature (T $_{C}$ ) above room temperature. Here, the authors utilize molecular beam epitaxy to tune the T $_{C}$ in heterostructures of van der Waals (vdW) magnet Fe $_{3}$ GeTe $_{2}$ and topological insulator Bi $_{2}$ Te $_{3}$ to above room temperature by varying growth conditions. Electron microscopy reveals the existence of thicker vdW compounds in the Fe $_{m}$ Ge $_{n}$ Te $_{2}$ family, as well as some intercalants in between vdW gaps, which are possible origins for the enhanced T $_{C}$ .

EDITORS' SUGGESTION

Testing the topological insulator behavior of half-Heusler PdYBi and PtYBi (111) epitaxial thin films

V. Palin, A. Anadón, S. Andrieu, Y. Fagot-Revurat, C. de Melo, J. Ghanbaja, O. Kurnosikov, S. Petit-Watelot, F. Bertran, and J.-C. Rojas-Sánchez

Phys. Rev. Materials 7, 104203 (2023) - Published 10 October, 2023

Materials with high spin-to-charge interconversion efficiency are of high interest for advanced spintronic applications. Previous work has suggested that topological insulators may exhibit higher efficiency than traditionally-used heavy metals. Here, the authors explore the half-Heusler compounds PdYBi and PtYBi and their potential use for spin-to-charge interconversion. Epitaxial thin films of PdYBi and PtYBi are successfully prepared and demonstrated to exhibit nontrivial topology. Characterization of the magnetotransport in a model device shows that these half-Heusler films can outperform platinum in spin-to-charge interconversion.

EDITORS' SUGGESTION

Canted antiferromagnetism in polar ${MnSiN}_{2}$ with high Néel temperature

Linus Kautzsch, Alexandru B. Georgescu, Danilo Puggioni, Greggory Kent, Keith M. Taddei, Aiden Reilly, Ram Seshadri, James M. Rondinelli, and Stephen D. Wilson

Phys. Rev. Materials 7, 104406 (2023) - Published 19 October, 2023

Ternary nitrides are a burgeoning materials class hosting diverse structures, compositions, and properties that make them appealing for various applications. Magnetic nitrogen-rich compounds generally remain underexplored, despite the unique chemical bonding afforded by the N $^{3 -}$ ion with open d-shell transition metals. Here, the authors explore the compound MnSiN $_{2}$ where Mn $^{2 +}$ ions reside on a 3D diamond-like covalent network with strong magnetic superexchange pathways. The compound exhibits a high Néel ordering temperature of T $_{N}$ = 443 K and the precise canted ground state magnetic structure is resolved using a combination of DFT modeling and powder neutron diffraction.

LETTERS

Magnetic, ferroelectric, and multiferroic materials

LETTER

Emergence of partially disordered antiferromagnetism and isothermal magnetization plateau due to geometrical frustration in a metallic compound, ${Er}_{2} Rh {Si}_{3}$

Kartik K. Iyer, Kalobaran Maiti, Sudhindra Rayaprol, Ram Kumar, S. Mattepanavar, S. Dodamani, and E. V. Sampathkumaran

Phys. Rev. Materials 7, L101401 (2023) - Published 10 October, 2023

Superconducting materials

LETTER

Effect of doping on the phase stability and superconductivity in $La H_{10}$

Zepeng Wu, Yang Sun, Artur P. Durajski, Feng Zheng, Vladimir Antropov, Kai-Ming Ho, and Shunqing Wu

Phys. Rev. Materials 7, L101801 (2023) - Published 27 October, 2023

ARTICLES

Crystal growth, crystallization, and kinetics

Switching of control mechanisms during the rapid solidification of a melt pool

Yijia Gu, Jiandong Yuan, and Lianyi Chen

Phys. Rev. Materials 7, 103401 (2023) - Published 3 October, 2023

Structural and mechanical properties

Descriptor for slip-induced crack blunting in refractory ceramics

Davide G. Sangiovanni, Antoine Kraych, Matous Mrovec, Janella Salamania, Magnus Odén, Ferenc Tasnádi, and Igor A. Abrikosov

Phys. Rev. Materials 7, 103601 (2023) - Published 6 October, 2023

Machine learning moment tensor potential for modeling dislocation and fracture in ${L1}_{0} − TiAl$ and ${D0}_{19} − {Ti}_{3} Al$ alloys

Ji Qi, Z. H. Aitken, Qingxiang Pei, Anne Marie Z. Tan, Yunxing Zuo, M. H. Jhon, S. S. Quek, T. Wen, Zhaoxuan Wu, and Shyue Ping Ong

Phys. Rev. Materials 7, 103602 (2023) - Published 13 October, 2023

Polymorphic structure of $〈 a 〉$ -type screw dislocation cores in $α$ -Ti

David Jany, Eric Rothchild, and D. C. Chrzan

Phys. Rev. Materials 7, 103603 (2023) - Published 17 October, 2023

Development of new methods for materials

Monolithic integration of InP nanowires with CMOS fabricated silicon nanotips wafer

Anagha Kamath, Oliver Skibitzki, Davide Spirito, Shabnam Dadgostar, Irene Mediavilla Martinez, Martin Schmidbauer, Carsten Richter, Albert Kwasniewski, Jorge Serrano, Juan Jimenez, Christian Golz, Markus Andreas Schubert, Jens W. Tomm, Gang Niu, and Fariba Hatami

Phys. Rev. Materials 7, 103801 (2023) - Published 19 October, 2023

Two-dimensional materials

Transferable screened range-separated hybrid functionals for electronic and optical properties of van der Waals materials

María Camarasa-Gómez, Ashwin Ramasubramaniam, Jeffrey B. Neaton, and Leeor Kronik

Phys. Rev. Materials 7, 104001 (2023) - Published 3 October, 2023

Switching of charge-density wave by carrier tuning in monolayer ${TiTe}_{2}$

Koki Yanagizawa, Katsuaki Sugawara, Tappei Kawakami, Ryuichi Ando, Ken Yaegashi, Kosuke Nakayama, Seigo Souma, Kiyohisa Tanaka, Miho Kitamura, Koji Horiba, Hiroshi Kumigashira, Takashi Takahashi, and Takafumi Sato

Phys. Rev. Materials 7, 104002 (2023) - Published 18 October, 2023

First-principles study of bilayers $Zn X$ and $Cd X$ ( $X = S, Se, Te$ ) direct band-gap semiconductors and their van der Waals heterostructures

Gabriel Perin, Danilo Kuritza, Rafael Barbosa, Gustavo Tresco, Renato B. Pontes, Roberto H. Miwa, and José E. Padilha

Phys. Rev. Materials 7, 104003 (2023) - Published 20 October, 2023

EDITORS' SUGGESTION

Tuning the Curie temperature of a two-dimensional magnet/topological insulator heterostructure to above room temperature by epitaxial growth

Phys. Rev. Materials 7, 104004 (2023) - Published 23 October, 2023

Anisotropic Rashba splitting dominated by out-of-plane spin polarization in two-dimensional Janus $X A_{2} Y$ ( $A = Si, Sn, Ge$ ; $X, Y = Sb, Bi$ ) with surface imperfection

Arif Lukmantoro and Moh. Adhib Ulil Absor

Phys. Rev. Materials 7, 104005 (2023) - Published 23 October, 2023

Enhanced spin-polarization via partial Ge-dimerization as the driving force of the charge density wave in FeGe

Yilin Wang

Phys. Rev. Materials 7, 104006 (2023) - Published 30 October, 2023

Topological and Dirac materials

Frustrated charge order and cooperative distortions in ${ScV}_{6} {Sn}_{6}$

Ganesh Pokharel, Brenden R. Ortiz, Linus Kautzsch, S. J. Gomez Alvarado, Krishnanand Mallayya, Guang Wu, Eun-Ah Kim, Jacob P. C. Ruff, Suchismita Sarker, and Stephen D. Wilson

Phys. Rev. Materials 7, 104201 (2023) - Published 3 October, 2023

Molecular beam epitaxy growth of axion insulator candidate $Eu {In}_{2} {As}_{2}$

Muhsin Abdul Karim, Jiashu Wang, David Graf, Kota Yoshimura, Sara Bey, Tatyana Orlova, Maksym Zhukovskyi, Xinyu Liu, and Badih A. Assaf

Phys. Rev. Materials 7, 104202 (2023) - Published 9 October, 2023

EDITORS' SUGGESTION

Testing the topological insulator behavior of half-Heusler PdYBi and PtYBi (111) epitaxial thin films

V. Palin, A. Anadón, S. Andrieu, Y. Fagot-Revurat, C. de Melo, J. Ghanbaja, O. Kurnosikov, S. Petit-Watelot, F. Bertran, and J.-C. Rojas-Sánchez

Phys. Rev. Materials 7, 104203 (2023) - Published 10 October, 2023

Prediction of strong topological insulator phase in kagome metal ${R V}_{6} {Ge}_{6}$

Taosif Ahsan, Chia-Hsiu Hsu, Md. Shafayat Hossain, and M. Zahid Hasan

Phys. Rev. Materials 7, 104204 (2023) - Published 10 October, 2023

Anomalous Hall effect and magnetoresistance in microribbons of the magnetic Weyl semimetal candidate ${PrRhC}_{2}$

Mickey Martini, Helena Reichlova, Laura T. Corredor, Dominik Kriegner, Yejin Lee, Luca Tomarchio, Kornelius Nielsch, Ali G. Moghaddam, Jeroen van den Brink, Bernd Büchner, Sabine Wurmehl, Vitaliy Romaka, and Andy Thomas

Phys. Rev. Materials 7, 104205 (2023) - Published 16 October, 2023

Magnetic, ferroelectric, and multiferroic materials

Exotic surface magnetotransport phenomena in the antiferromagnetic Mott insulator $Ni S_{2}$

Sami El-Khatib, Faisal Mustafa, Mehmet Egilmez, Bhaskar Das, Yu Tao, Moumita Maiti, Yeon Lee, and Chris Leighton

Phys. Rev. Materials 7, 104401 (2023) - Published 10 October, 2023

Optical signatures of defects in ${BiFeO}_{3}$

Sabine Körbel

Phys. Rev. Materials 7, 104402 (2023) - Published 10 October, 2023

Quantum gapped state in a spin-1/2 distorted honeycomb-based lattice with frustration

Hironori Yamaguchi, Satoshi Morota, Takanori Kida, Seiya Shimono, Koji Araki, Yoshiki Iwasaki, Yuko Hosokoshi, and Masayuki Hagiwara

Phys. Rev. Materials 7, 104403 (2023) - Published 16 October, 2023

Breathing pyrochlore magnet ${CuGaCr}_{4} S_{8}$ : Magnetic, thermodynamic, and dielectric properties

Masaki Gen, Hajime Ishikawa, Atsushi Miyake, Takeshi Yajima, Harald O. Jeschke, Hajime Sagayama, Akihiko Ikeda, Yasuhiro H. Matsuda, Koichi Kindo, Masashi Tokunaga, Yoshimitsu Kohama, Takashi Kurumaji, Yusuke Tokunaga, and Taka-hisa Arima

Phys. Rev. Materials 7, 104404 (2023) - Published 16 October, 2023

Zero-field magnetic structure and metamagnetic phase transitions of the cobalt chain compound ${Li}_{2} {CoCl}_{4}$

Zachary W. Riedel, Zhihao Jiang, Maxim Avdeev, André Schleife, and Daniel P. Shoemaker

Phys. Rev. Materials 7, 104405 (2023) - Published 16 October, 2023

EDITORS' SUGGESTION

Canted antiferromagnetism in polar ${MnSiN}_{2}$ with high Néel temperature

Linus Kautzsch, Alexandru B. Georgescu, Danilo Puggioni, Greggory Kent, Keith M. Taddei, Aiden Reilly, Ram Seshadri, James M. Rondinelli, and Stephen D. Wilson

Phys. Rev. Materials 7, 104406 (2023) - Published 19 October, 2023

Paramagnetic Nd sublattice and thickness-dependent ferromagnetism in ${Nd}_{2} {NiMnO}_{6}$ double perovskite thin films

Jonathan Spring, Gabriele De Luca, Simon Jöhr, Javier Herrero-Martín, Charles Guillemard, Cinthia Piamonteze, Carlos M. M. Rosário, Hans Hilgenkamp, and Marta Gibert

Phys. Rev. Materials 7, 104407 (2023) - Published 24 October, 2023

Nonlocal spin transport based on a half-metallic ferromagnet

Yao Junxiang, Prateek Kumar, Mariona Cabero-Piris, and Jan Aarts

Phys. Rev. Materials 7, 104408 (2023) - Published 24 October, 2023

Processing effect on spin-orbit torque switching and efficiency characterization in perpendicularly magnetized pillar devices

Wei-Bang Liao, Chun-Yi Lin, Tung-Yue Cheng, Chao-Chung Huang, Tian-Yue Chen, and Chi-Feng Pai

Phys. Rev. Materials 7, 104409 (2023) - Published 24 October, 2023

Ballistic spin-transport properties of magnetic tunnel junctions with MnCr-based ferrimagnetic quaternary Heusler alloys

Tufan Roy, Masahito Tsujikawa, and Masafumi Shirai

Phys. Rev. Materials 7, 104410 (2023) - Published 25 October, 2023

Magnetism-correlated high-temperature martensitic phase transition in ductile ${Co}_{2} NiT$ ( $T = Sc$ , Ti, V, Cr, Y, Zr, Nb, Mo, Hf, Ta, and W) all- $d$ -metal Heusler compounds

Guijiang Li, Lei Xu, and Zhenhua Cao

Phys. Rev. Materials 7, 104411 (2023) - Published 25 October, 2023

Semiconducting materials

Quantifying doping-dependent electron-phonon scattering rates in silicon by inelastic x-ray scattering and first-principles lattice dynamics

Hiroshi Uchiyama, Te-Huan Liu, Toshiaki Ono, Jun Fujise, Bolin Liao, Shenghong Ju, Gang Chen, and Junichiro Shiomi

Phys. Rev. Materials 7, 104601 (2023) - Published 13 October, 2023

Role of volume change on the physics of thermoelectric half-Heusler compounds

M. Yazdani-Kachoei, S. Li, W. Sun, S. Mehdi Vaez Allaei, and I. Di Marco

Phys. Rev. Materials 7, 104602 (2023) - Published 25 October, 2023

Superconducting materials

Superconductivity induced by doping holes in the nodal-line semimetal NaAlGe

Toshiya Ikenobe, Takahiro Yamada, Daigorou Hirai, Hisanori Yamane, and Zenji Hiroi

Phys. Rev. Materials 7, 104801 (2023) - Published 30 October, 2023

Superconductivity in $Hf S_{2}$ at ultrahigh pressure

Shihui Zhang, Hailun Wang, Hao Liu, Jiapeng Zhen, Shun Wan, Wen Deng, Yonghao Han, Bin Chen, and Chunxiao Gao

Phys. Rev. Materials 7, 104802 (2023) - Published 31 October, 2023

Other electronic materials

Crystal structure and $f$ -orbital hybridization in the filled skutterudite ${PrRu}_{4} P_{12}$

Jonathan Buhot, Marie-Bernadette Lepetit, Hitoshi Sugawara, and Marie-Aude Méasson

Phys. Rev. Materials 7, 105001 (2023) - Published 20 October, 2023

Metamaterials, optical, photonic, and plasmonic materials

Emission enhancement in nanoassemblies with extremely small metal nanoparticles: Nonmonotonic effect of temperature and the non-Markovian interactions

Riya Dutta, Kritika Jain, Komal Sharma, Murugesan Venkatapathi, and J. K. Basu

Phys. Rev. Materials 7, 105201 (2023) - Published 30 October, 2023

Materials for energy harvesting, storage, and generation

Tailoring negative pressure by crystal defects: Microcrack induced hydride formation in Al alloys

Ali Tehranchi, Poulami Chakraborty, Martí López Freixes, Eunan J. McEniry, Baptiste Gault, Tilmann Hickel, and Jörg Neugebauer

Phys. Rev. Materials 7, 105401 (2023) - Published 17 October, 2023

Explainable machine learning for hydrogen diffusion in metals and random binary alloys

Grace M. Lu, Matthew Witman, Sapan Agarwal, Vitalie Stavila, and Dallas R. Trinkle

Phys. Rev. Materials 7, 105402 (2023) - Published 26 October, 2023

Soft, molecular, and amorphous materials

Single gyroid in H-shaped block copolymers

So Jung Park, Frank S. Bates, and Kevin D. Dorfman

Phys. Rev. Materials 7, 105601 (2023) - Published 19 October, 2023

The beautiful colors we observe in nature, such as butterfly wing scales, reveal how nature precisely controls the propagation of light by creating photonic crystals, such as the single gyroid network. Recreating these chiral networks in synthetic materials, especially self-assembled block polymers, offers great potential applications as next-generation optical devices. However, single gyroid is thermodynamically unfavorable in linear diblock copolymers owing to the molecular packing mechanisms. This study uses self-consistent field theory to elucidate the design principles for stabilizing single gyroid in a synthetically tractable block copolymer architecture.

Shock compression of semicrystalline polymers

Pedro S. Lance, Daniel A. Vega, and Leopoldo R. Gómez

Phys. Rev. Materials 7, 105602 (2023) - Published 23 October, 2023

Temperature dependence of fast relaxation processes in amorphous materials

Gieberth Rodriguez-Lopez, Kirsten Martens, and Ezequiel E. Ferrero

Phys. Rev. Materials 7, 105603 (2023) - Published 25 October, 2023

General framework for the mechanical response of metallic glasses during strain-rate-dependent uniaxial compression

Weiwei Jin, Amit Datye, Udo D. Schwarz, Mark D. Shattuck, and Corey S. O'Hern

Phys. Rev. Materials 7, 105604 (2023) - Published 25 October, 2023

Fluctuation stabilization of the Fddd network phase in diblock, triblock, and starblock copolymer melts

Mark W. Matsen, Thomas M. Beardsley, and James D. Willis

Phys. Rev. Materials 7, 105605 (2023) - Published 31 October, 2023

The latest complex network phase to be discovered in diblock copolymer melts is the orthorhombic $F d d d$ phase. Mean-field theory predicts it to be stable, but only at weak segregations where ordered phases are typically destroyed by thermal fluctuations. Indeed, Landau-Brazovskii theory confirmed this expectation, raising the question of how $F d d d$ survives in experiments. However, this problem was recently resolved by accurate field-theoretic simulations, which found that $F d d d$ is simply more resilient to fluctuations than other ordered phases. Here, the authors find that this is also true for the family of (AB) $_{M}$ starblock copolymer architectures. This resilience may very well extend to numerous other architectures, and thus it would be prudent to keep our eyes open for $F d d d$ .

Nanomaterials

The origin of room-temperature self-trapped-exciton emission in LiF nanoparticles

Camilla L. Nielsen, Pavao Andričević, Brian Julsgaard, Mayank Jain, Peter Balling, and Rosana M. Turtos

Phys. Rev. Materials 7, 106001 (2023) - Published 18 October, 2023

Biexcitons are bound in ${CsPbBr}_{3}$ perovskite nanocrystals

Yoonjae Park and David T. Limmer

Phys. Rev. Materials 7, 106002 (2023) - Published 25 October, 2023