Volume 8, Issue 5

May 2024

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EDITORIALS AND ANNOUNCEMENTS

Editorial: Coauthor! Coauthor!

Randall D. Kamien and Daniel Ucko

Phys. Rev. Materials 8, 050001 (2024) - Published 21 May, 2024

HIGHLIGHTED ARTICLES

FEATURED IN PHYSICS

EDITORS' SUGGESTION

Large spontaneous magneto-thermoelectric effect in epitaxial thin films of the topological kagome ferromagnet ${Fe}_{3} Sn$

Shun'ichiro Kurosawa, Tomoya Higo, Shota Saito, Ryota Uesugi, and Satoru Nakatsuji

Phys. Rev. Materials 8, 054206 (2024) - Published 28 May, 2024

This study investigates the anomalous Nernst effect (ANE), a novel technique to convert heat into electricity utilizing the magnetic and topological properties of materials. Unlike the Seebeck effect, ANE employs established thin-film technology to develop practical thermoelectric devices. We have successfully fabricated high-quality (0001)-oriented epitaxial films of the topological kagome ferromagnet Fe $_{3}$ Sn and characterized their thermoelectric properties. These films exhibit a large “zero-field” ANE signal of ~3 µV/K at room temperature due to large magneto-crystalline anisotropy as well as the shape anisotropy for in-plane magnetization arrangements, making them ideal for applications such as heat flux sensors and energy harvesters. This breakthrough in utilizing Fe $_{3}$ Sn films not only advances the understanding of ANE in topological magnets but also paves the way for the design of high-performance thermoelectric devices.

EDITORS' SUGGESTION

Fidelity and variability in the interlayer electronic structure of the kagome superconductor ${CsV}_{3} {Sb}_{5}$

Aurland K. Watkins, Dirk Johrendt, Vojtech Vlcek, Stephen D. Wilson, and Ram Seshadri

Phys. Rev. Materials 8, 054204 (2024) - Published 20 May, 2024

A reliable interlayer band structure of the kagome superconductor CsV $_{3}$ Sb $_{5}$ is critical for understanding emergent phenomena like the charge density wave ordering and for classifying the topology. Here, the authors present a survey of computational techniques aimed at comparing the electronic interactions between kagome layers in CsV $_{3}$ Sb $_{5}$ . This study highlights the computational parameters and plotting methods that lead to differing band behaviors. Within conventional DFT, the parameters employed during structural relaxation are critical in determining the electronic structure between kagome layers. However, higher levels of computational theory contrast these results and point to the increased role of interlayer interactions.

EDITORS' SUGGESTION

Fermiology and transport properties of the candidate topological crystalline insulator ${SrAg}_{4} {Sb}_{2}$

J. Green, Eve Emmanouilidou, Harry W. T. Morgan, William T. Laderer, Chaowei Hu, Jonathan Loera, Anastassia N. Alexandrova, and Ni Ni

Phys. Rev. Materials 8, 054205 (2024) - Published 23 May, 2024

Inspired by the nonmagnetic topological materials database, the authors investigated the 3D fermiology and band topology of the Topological Crystalline Insulator (TCI) candidate SrAg $_{4}$ Sb $_{2}$ . The fermiology, revealed by angular-dependent quantum oscillations, shows excellent agreement with first-principles calculations. Symmetry and topology analysis result in two potential sets of topological invariants, suggesting the emergence of crystal-symmetry-protected gapless Dirac surface states either on the as-grown ab planes or on both the ab planes and as-grown mirror planes. Their findings provide evidence that SrAg $_{4}$ Sb $_{2}$ is a promising TCI for exploring topological surface states protected by crystal symmetry.

LETTERS

Two-dimensional materials

LETTER

First-principles electron-phonon interactions and electronic transport in large-angle twisted bilayer graphene

Shiyuan Gao, Jin-Jian Zhou, Yao Luo, and Marco Bernardi

Phys. Rev. Materials 8, L051001 (2024) - Published 22 May, 2024

Magnetic, ferroelectric, and multiferroic materials

LETTER

Nonrelativistic spin splittings and altermagnetism in twisted bilayers of centrosymmetric antiferromagnets

Sajjan Sheoran and Saswata Bhattacharya

Phys. Rev. Materials 8, L051401 (2024) - Published 15 May, 2024

Superconducting materials

LETTER

Coexistence of antiferrodistortive and polar order in a superconducting $SrTi O_{3}$ film

Guomin Zhu, Alex Hallett, Nicholas G. Combs, Hanbyeol Jeong, Arda Genc, John W. Harter, and Susanne Stemmer

Phys. Rev. Materials 8, L051801 (2024) - Published 8 May, 2024

Soft, molecular, and amorphous materials

LETTER

Cross-linking controls the mechanical properties of protein crystals

Daiki Takaku, Ryo Suzuki, Kenichi Kojima, and Masaru Tachibana

Phys. Rev. Materials 8, L052601 (2024) - Published 30 May, 2024

ARTICLES

Crystal growth, crystallization, and kinetics

Design and synthesis of three-dimensional hybrid Ruddlesden-Popper nickelate single crystals

Feiyu Li, Ning Guo, Qiang Zheng, Yang Shen, Shilei Wang, Qihui Cui, Chao Liu, Shanpeng Wang, Xutang Tao, Guang-Ming Zhang, and Junjie Zhang

Phys. Rev. Materials 8, 053401 (2024) - Published 8 May, 2024

Structural and mechanical properties

Combined approach to capture the evolution of oxidation of Nickel based superalloys using data driven approaches

Nikhil Khatavkar and Abhishek Kumar Singh

Phys. Rev. Materials 8, 053601 (2024) - Published 7 May, 2024

Effect of short-range order on lattice distortion, stacking fault energy, and mechanical performance of Co-Fe-Ni-Ti high-entropy alloy at finite temperature

Xianteng Zhou, Hongquan Song, Chaokun Guo, Zhen Yang, and Fuyang Tian

Phys. Rev. Materials 8, 053602 (2024) - Published 15 May, 2024

Development of new methods for materials

Epitaxial growth and stoichiometry control of pyrochlore ${Nd}_{2} {Ru}_{2} O_{7}$ thin films

K. S. Rabinovich, G. Kim, A. N. Yaresko, G. Christiani, G. Logvenov, B. Keimer, and A. V. Boris

Phys. Rev. Materials 8, 053801 (2024) - Published 1 May, 2024

Two-dimensional materials

Millimeter-scale growth of ${YCrB}_{4}$ single crystals and observation of the metallic surface state

Xiaoni Zhang, Yuki Tsujikawa, Kazuki Yamaguchi, Masashige Miyamoto, Masafumi Horio, Kunio Yubuta, Hiroshi Ando, Mei Yuan, Kenichi Ozawa, Kazumasa Sugiyama, Takahiro Kondo, and Iwao Matsuda

Phys. Rev. Materials 8, 054001 (2024) - Published 1 May, 2024

Magnon dispersion and spin transport in ${CrCl}_{3}$ bilayers under different strain-induced magnetic states

Verena Brehm, Stefan Stagraczyński, Józef Barnaś, Anna Dyrdał, and Alireza Qaiumzadeh

Phys. Rev. Materials 8, 054002 (2024) - Published 3 May, 2024

Intrinsic high-temperature ferroelectricity, superferroelasticity, and deep-ultraviolet nonlinear optical response of GaOCl monolayer

Zhengyuan Tu, Yunhua Wang, Weitu Liao, Tao Hu, and Shengjun Yuan

Phys. Rev. Materials 8, 054003 (2024) - Published 21 May, 2024

Adatom-mediated damage of two-dimensional materials under the electron beam in a transmission electron microscope

Mitisha Jain, Silvan Kretschmer, Jannik Meyer, and Arkady V. Krasheninnikov

Phys. Rev. Materials 8, 054004 (2024) - Published 24 May, 2024

Ferroelectricity in oxygen-terminated two-dimensional carbides of lanthanide elements

Lin Han, Wencong Sun, Pingwei Liu, Xianqing Lin, Dan Liu, and David Tománek

Phys. Rev. Materials 8, 054005 (2024) - Published 30 May, 2024

Electrical transport crossover and large magnetoresistance in selenium deficient van der Waals ${HfSe}_{2 − x}$ $(0 \leq x \leq 0.2)$

Wenhao Liu, Yangzi Zheng, Aswin Lakshmi Narayanan Kondusamy, David L. Scherm, Anton V. Malko, and Bing Lv

Phys. Rev. Materials 8, 054006 (2024) - Published 29 May, 2024

Topological and Dirac materials

Band structure of Bi surfaces formed on ${Bi}_{2} {Se}_{3}$ upon exposure to air

Alexandre Gauthier, Jonathan A. Sobota, Nicolas Gauthier, Costel R. Rotundu, Zhi-Xun Shen, and Patrick S. Kirchmann

Phys. Rev. Materials 8, 054201 (2024) - Published 7 May, 2024

Observation of large magnetoresistance switching in topological-insulator/ferromagnetic-metal heterostructure with perpendicular magnetic anisotropy

Junseok Oh, Vincent Humbert, Gregory J. MacDougall, Matthew J. Gilbert, and Nadya Mason

Phys. Rev. Materials 8, 054202 (2024) - Published 8 May, 2024

Crystallographic defects in Weyl semimetal LaAlGe

Inseo Kim, Byungkyun Kang, Hyunsoo Kim, and Minseok Choi

Phys. Rev. Materials 8, 054203 (2024) - Published 13 May, 2024

EDITORS' SUGGESTION

Fidelity and variability in the interlayer electronic structure of the kagome superconductor ${CsV}_{3} {Sb}_{5}$

Aurland K. Watkins, Dirk Johrendt, Vojtech Vlcek, Stephen D. Wilson, and Ram Seshadri

Phys. Rev. Materials 8, 054204 (2024) - Published 20 May, 2024

EDITORS' SUGGESTION

Fermiology and transport properties of the candidate topological crystalline insulator ${SrAg}_{4} {Sb}_{2}$

J. Green, Eve Emmanouilidou, Harry W. T. Morgan, William T. Laderer, Chaowei Hu, Jonathan Loera, Anastassia N. Alexandrova, and Ni Ni

Phys. Rev. Materials 8, 054205 (2024) - Published 23 May, 2024

FEATURED IN PHYSICS

EDITORS' SUGGESTION

Large spontaneous magneto-thermoelectric effect in epitaxial thin films of the topological kagome ferromagnet ${Fe}_{3} Sn$

Shun'ichiro Kurosawa, Tomoya Higo, Shota Saito, Ryota Uesugi, and Satoru Nakatsuji

Phys. Rev. Materials 8, 054206 (2024) - Published 28 May, 2024

Magnetic, ferroelectric, and multiferroic materials

Low-temperature paramagnetic phase reentrance in praseodymium-doped manganites

Diego Carranza-Celis, Christian T. Wolowiec, Ali C. Basaran, Pavel Salev, Ivan K. Schuller, and Juan Gabriel Ramirez

Phys. Rev. Materials 8, 054401 (2024) - Published 1 May, 2024

Dielectric behavior and negative capacitance in multidomain ferroelectric/dielectric $Pb ({Zr}_{0.2} {Ti}_{0.8}) O_{3} / {SrTiO}_{3}$ superlattices

Mariem Gharbi, Alain Sylvestre, Jean-Luc Dellis, Françoise Le Marrec, and Nathalie Lemée

Phys. Rev. Materials 8, 054402 (2024) - Published 3 May, 2024

Ground- and excited-state properties of ${LiNb}_{1 - x} {Ta}_{x} O_{3}$ solid solutions

Felix Bernhardt, Florian A. Pfeiffer, Felix Schug, Simone Sanna, Anton Pfannstiel, Tobias Hehemann, Mirco Imlau, and Steffen Ganschow

Phys. Rev. Materials 8, 054403 (2024) - Published 7 May, 2024

Tunable magnetic structures in the helimagnet $YBa {(C u_{1 - x} F e_{x})}_{2} O_{5}$

Chun-Hao Lai, Chin-Wei Wang, Hung-Cheng Wu, Yu-Hui Liang, Andrew J. Studer, Wei-Tin Chen, and Chao-Hung Du

Phys. Rev. Materials 8, 054404 (2024) - Published 7 May, 2024

Transport, magnetic, and magnetotransport properties of ${Ba}_{3 - x} R_{x} {Ta}_{5} O_{15} (R = rare earth)$

Haruki Takei, Satomi Ito, Kenta Iwamoto, Yumiko Katayama, Kazunori Ueno, Hideki Kuwahara, and Takuro Katsufuji

Phys. Rev. Materials 8, 054405 (2024) - Published 7 May, 2024

Ferroelectric to paraelectric structural transition in ${LiTaO}_{3}$ and ${LiNbO}_{3}$

Felix Bernhardt, Leonard M. Verhoff, Nils A. Schäfer, Alexander Kapp, Christa Fink, Wafaa Al Nachwati, Umar Bashir, Detlef Klimm, Fatima El Azzouzi, Uliana Yakhnevych, Yuriy Suhak, Harald Schmidt, Klaus-Dieter Becker, Steffen Ganschow, Holger Fritze, and Simone Sanna

Phys. Rev. Materials 8, 054406 (2024) - Published 7 May, 2024

Antiferromagnetic $V_{2} O_{3}$ based exchange coupling

Ralph el Hage, Tianxing D. Wang, Junjie Li, Ali C. Basaran, Felipe Torres, and Ivan K. Schuller

Phys. Rev. Materials 8, 054407 (2024) - Published 13 May, 2024

Imaging the suppression of ferromagnetism in ${LaMnO}_{3}$ by metallic overlayers

Bart Folkers, Thies Jansen, Thijs J. Roskamp, Pim Reith, André Timmermans, Daen Jannis, Nicolas Gauquelin, Johan Verbeeck, Hans Hilgenkamp, and Carlos M. M. Rosário

Phys. Rev. Materials 8, 054408 (2024) - Published 13 May, 2024

Evolution of domain structure in epitaxial ferroelectric $K_{0.5} N a_{0.5} Nb O_{3}$ films grown by metal-organic vapor-phase epitaxy

Yankun Wang, Saud Bin Anooz, Gang Niu, Jinyan Zhao, Martin Schmidbauer, Lingyan Wang, Wei Ren, and Jutta Schwarzkopf

Phys. Rev. Materials 8, 054409 (2024) - Published 13 May, 2024

Epitaxial growth, structural and magnetic characterization of thulium thin films

Igor Lyalin, Katherine Robinson, Alexander J. Bishop, Gabriel Calderón Ortiz, Sadikul Alam, Jinwoo Hwang, and Roland K. Kawakami

Phys. Rev. Materials 8, 054410 (2024) - Published 13 May, 2024

Complex fermiology and electronic structure of antiferromagnet EuSnP

Milo Sprague, Anup Pradhan Sakhya, Sabin Regmi, Mazharul Islam Mondal, Iftakhar Bin Elius, Nathan Valadez, Kali Booth, Tetiana Romanova, Andrzej Ptok, Dariusz Kaczorowski, and Madhab Neupane

Phys. Rev. Materials 8, 054411 (2024) - Published 15 May, 2024

Competing magnetic correlations and uniaxial anisotropy in ( ${Fe}_{1 - x} {Mn}_{x})_{2} {AlB}_{2}$ single crystals

Taiki Shiotani, Takeshi Waki, Yoshikazu Tabata, and Hiroyuki Nakamura

Phys. Rev. Materials 8, 054412 (2024) - Published 15 May, 2024

Database mining and first-principles assessment of organic proton-transfer ferroelectrics

Seyedmojtaba Seyedraoufi, Elin Dypvik Sødahl, Carl Henrik Görbitz, and Kristian Berland

Phys. Rev. Materials 8, 054413 (2024) - Published 20 May, 2024

Coexisting antiferromagnetic phases on the frustrated pyrochlore sublattice of the mixed Jahn-Teller system ${Ni}_{1 - x} {Cu}_{x} {Cr}_{2} O_{4}$

M. Reehuis, M. Tovar, B. Klemke, D. M. Többens, A. Hoser, and J.-U. Hoffmann

Phys. Rev. Materials 8, 054414 (2024) - Published 21 May, 2024

Mechanism of ferromagnetism enhancement in a $L a_{2 / 3} S r_{1 / 3} Mn O_{3}$ membrane released from epitaxial strain

Takahito Takeda, Takuma Arai, Kohei Yamagami, Le Duc Anh, Masaaki Tanaka, Masaki Kobayashi, and Shinobu Ohya

Phys. Rev. Materials 8, 054415 (2024) - Published 21 May, 2024

Oxygen vacancy effects on polarization switching of ferroelectric ${Bi}_{2} {FeCrO}_{6}$ thin films

X. Henning, K. Alhada-Lahbabi, D. Deleruyelle, B. Gautier, L. Schlur, T. Fix, S. Colis, A. Dinia, and M. V. Rastei

Phys. Rev. Materials 8, 054416 (2024) - Published 21 May, 2024

Boosting ferromagnetism in freestanding electronically phase separated manganite thin films

Lifen Xiang, Peng Cai, Qiang Li, Qian Shi, Tian Miao, Yu Bai, Yang Yu, Fanli Lan, Shuaifei Guo, Guorui Chen, Wenbin Wang, Lifeng Yin, Yuanbo Zhang, and Jian Shen

Phys. Rev. Materials 8, 054417 (2024) - Published 30 May, 2024

Semiconducting materials

Oscillator strengths, intracenter absorption and photoionization cross sections of optical transitions of shallow donors in silicon

S. G. Pavlov and N. V. Abrosimov

Phys. Rev. Materials 8, 054601 (2024) - Published 8 May, 2024

Peierls-like distortion drives anion ordering in rutile TiOF

Siddhartha S. Nathan, Danilo Puggioni, and James M. Rondinelli

Phys. Rev. Materials 8, 054602 (2024) - Published 13 May, 2024

Investigation of Ga interstitial and vacancy diffusion in $β − {Ga}_{2} O_{3}$ via split defects: A direct approach via master diffusion equations

Channyung Lee, Michael A. Scarpulla, and Elif Ertekin

Phys. Rev. Materials 8, 054603 (2024) - Published 13 May, 2024

Large Rashba spin splittings in bulk and monolayer of BiAs

Muhammad Zubair, Igor Evangelista, Shoaib Khalid, Bharat Medasani, and Anderson Janotti

Phys. Rev. Materials 8, 054604 (2024) - Published 20 May, 2024

Ordering in GaAs co-doped with Bi and N

T. J. F. Verstijnen, D. Tjeertes, A. D. Rice, K. Alberi, and P. M. Koenraad

Phys. Rev. Materials 8, 054605 (2024) - Published 20 May, 2024

Deciphering the microscopic phenomenon behind contact resistances in interlayer functionalized electrodes and organic semiconductors

Kalyani Patrikar and Anirban Mondal

Phys. Rev. Materials 8, 054606 (2024) - Published 21 May, 2024

Superconducting materials

Large variation in superconducting transition temperature in the ${Nb}_{x} {Bi}_{2 - x} {Se}_{3}$ system

Simone M. Kevy, Laura Wollesen, Kirstine J. Dalgaard, Yu-Te Hsu, Steffen Wiedmann, and Martin Bremholm

Phys. Rev. Materials 8, 054801 (2024) - Published 2 May, 2024

Scanning tunneling microscopy and x-ray photoemission studies of ${NdNiO}_{2}$ infinite-layer nickelates films

Martando Rath, Yu Chen, Guillaume Krieger, Hoshang Sahib, Daniele Preziosi, and Marco Salluzzo

Phys. Rev. Materials 8, 054802 (2024) - Published 21 May, 2024

Other electronic materials

Odd-parity multipole order in the spin-orbit coupled metallic pyrochlore $P b_{2} R e_{2} O_{7 - δ}$

Yuki Nakayama, Daigorou Hirai, Hajime Sagayama, Keita Kojima, Naoyuki Katayama, Jannis Lehmann, Ziqian Wang, Naoki Ogawa, and Koshi Takenaka

Phys. Rev. Materials 8, 055001 (2024) - Published 2 May, 2024

Electron-phonon coupling and thermal conductivity of MAB compounds

Tuğbey Kocabaş, Bipasa Samanta, Elisangela da Silva Barboza, Cem Sevik, Milorad V. Milošević, and Deniz Çakır

Phys. Rev. Materials 8, 055002 (2024) - Published 21 May, 2024

Materials for energy harvesting, storage, and generation

Valence study of $Li {({Ni}_{0.5} {Mn}_{0.5})}_{1 - x} {Co}_{x} O_{2}$ and ${LiNi}_{1 - x} {Co}_{x} O_{2}$ : The role of charge transfer and charge disproportionation

Daisuke Takegami, Kosuke Kawai, Miguel Ferreira-Carvalho, Sahana Rößler, Cheng-En Liu, Chang-Yang Kuo, Chun-Fu Chang, Atsusa Minamida, Tatsuya Miyazaki, Masashi Okubo, Liu Hao Tjeng, and Takashi Mizokawa

Phys. Rev. Materials 8, 055401 (2024) - Published 7 May, 2024