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Physical Review Materials - February 2024

Physical Review Materials

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Volume 8, Issue 2

February 2024
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HIGHLIGHTED ARTICLES

Editors' Suggestion
Quantum oscillations in kagome metals CsTi3Bi5 and RbTi3Bi5
Zackary Rehfuss, Christopher Broyles, David Graf, Yongkang Li, Hengxin Tan, Zhen Zhao, Jiali Liu, Yuhang Zhang, Xiaoli Dong, Haitao Yang, Hongjun Gao, Binghai Yan, and Sheng Ran
Phys. Rev. Materials 8, 024003 (2024) – Published 14 February 2024

We explore quantum oscillations in the kagome metals CsTi3Bi5 and RbTi3Bi5, using high magnetic fields and low temperatures. We reveal new quantum oscillation frequencies in CsTi3Bi5, showing a complex Fermi surface that matches density functional theory predictions. Interestingly, the Rb compound exhibits notably different results from the Cs compound, despite theoretical expectations of similarity. This work deepens our understanding of the electronic intricacies within kagome lattice systems and spotlights their role as a playground for unearthing novel quantum states. Our findings pave the way for future investigations in the quantum behaviors of kagome metals, offering insights for advanced material development.

Editors' Suggestion
Orbital degree of freedom in high entropy oxides
Jiaqiang Yan, Abinash Kumar, Miaofang Chi, Matthew Brahlek, Thomas Z. Ward, and Michael A. McGuire
Phys. Rev. Materials 8, 024404 (2024) – Published 7 February 2024

Understanding strongly correlated physics of electronic-driven orbital ordering in transition metal compounds has presented many long-standing questions. Utilizing high-entropy oxides have enabled understanding that disorder can unlock an unusual intermixing of orbital and spin in the rare-earth vanadate, RVO3, which shows that the average and variance of ionic radius determine and control unusual properties of the spin and orbital order. The ability to systematically control variance of the local structure in high-quality crystals which hold constant charge and spin is crucial for a deeper understanding and exploring unanswered decades-old question regarding the physics of the Kugel-Khomskii compounds.

Editors' Suggestion
Giant interfacial in-plane magnetic anisotropy in Co/Pt bilayers grown on MgO(110) substrates
Chao Zhou, Jia Xu, and Yizheng Wu
Phys. Rev. Materials 8, 024408 (2024) – Published 21 February 2024

A material with strong in-plane magnetic anisotropy is crucial for determining the magnetization configuration of magnetic materials and their applications in high-density and high-frequency devices. Here, the authors successfully reported a giant interfacial uniaxial in-plane anisotropy in Co/Pt(110) bilayers, which is five times larger than that in Co/Pt(111), the most popular magnetic thin film with perpendicular magnetic anisotropy. Furthermore, such large interfacial magnetic anisotropy can be enhanced by forming a Pt/Co/Pt sandwich structure. These results enabled the integration of in-plane magnetic anisotropy systems into spintronic devices with increased speed and density.

Editors' Suggestion
Tuning of spin-orbit coupling in chiral molecule-incorporated two-dimensional organic-inorganic hybrid perovskite copper halides with ferromagnetic exchange interactions
Kouji Taniguchi, Po-Jung Huang, Hajime Sagayama, Ryoji Kiyanagi, Kazuki Ohishi, Shunsuke Kitou, Yuiga Nakamura, and Hitoshi Miyasaka
Phys. Rev. Materials 8, 024409 (2024) – Published 23 February 2024

Simultaneous control of noncentrosymmetry and spin-orbit-coupling strength has been demonstrated in a series of chiral molecule-incorporated two-dimensional organic-inorganic hybrid perovskite copper halides (2D-OIHPs) with ferromagnetic exchange interaction. By substituting the halogen from Cl to Br, a systematic change of the magnetic phase diagram from the simple ferromagnetic phase to complicated multiple phases has been observed. This change is due to competition between the ferromagnetic exchange interaction and the Dzyaloshinskii-Moriya interaction. Materials design focusing on the structural flexibility of 2D-OIHP could pave the way to developing new types of nontrivial topological spin systems.

Editors' Suggestion
Nanoscale dynamics of hydrogen in VO2 studied by μSR
H. Okabe, M. Hiraishi, A. Koda, Y. Matsushita, T. Ohsawa, N. Ohashi, and R. Kadono
Phys. Rev. Materials 8, 024602 (2024) – Published 13 February 2024

Vanadium dioxide (VO2) is a promising next-generation electronic material for artificial neural networks. Here, the authors use muon spin spectroscopy to provide a microscopic basis for understanding nanoscale hydrogen diffusion in VO2, using muons as a microscopic simulator of dilute hydrogen. This innovation allows the authors to investigate the dynamics of trace hydrogen in nanoscale regions such as thin films, which is very difficult to achieve with conventional methods. This study is expected not only to make a significant contribution to the development of VO2 devices but also to provide a unique method for observing the dynamics of hydrogen at the nanoscale.

Editors' Suggestion
Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates
Ruby A. Shi, Bai Yang Wang, Yusuke Iguchi, Motoki Osada, Kyuho Lee, Berit H. Goodge, Lena F. Kourkoutis, Harold Y. Hwang, and Kathryn A. Moler
Phys. Rev. Materials 8, 024802 (2024) – Published 21 February 2024

This work studied superconductivity and magnetism in infinite-layer nickelate films with scanning SQUID and cross-sectional STEM. The authors found a landscape of superparamagnetism from NiOx nanoparticles that are extrinsic to the superconductivity. They imaged superconducting vortices and determined the penetration depth. They measured the local diamagnetism, finding a consistent value of the penetration depth. The superfluid density exhibits nearly T-linear dependence, suggesting possible d-wave superconductivity. Using scanning SQUID to image the various sources of magnetism in superconducting nickelates paves the way for further studies of vortex dynamics and flux quantization in these recently discovered superconductors.

Editors' Suggestion
Observation of van der Waals phonons in the single-layer cuprate (Bi,Pb)2(Sr,La)2CuO6+δ
Y. Y. Peng, I. Boukahil, K. Krongchon, Q. Xiao, A. A. Husain, Sangjun Lee, Q. Z. Li, A. Alatas, A. H. Said, H. T. Yan, Y. Ding, L. Zhao, X. J. Zhou, T. P. Devereaux, L. K. Wagner, C. D. Pemmaraju, and P. Abbamonte
Phys. Rev. Materials 8, 024804 (2024) – Published 26 February 2024

Interlayer van der Waals (vdW) coupling is ubiquitous in two-dimensional materials. The authors explore these interactions in the cuprate (Bi, Pb)2(Sr,La)2CuO6+δ, revealing ultra-low energy phonon modes similar to graphene and transition metal dichalcogenides. Using high-resolution inelastic hard x-ray scattering and first-principles simulations, they reveal vdW phonons from the shear motion of adjacent Bi-O layers. These findings deepen our understanding of the vibrational properties of cuprates and suggest opportunities for the design of novel heterostructures. These results highlight the generic nature of vdW modes in layered materials, including doped copper oxides, and provide insights for future materials design and research.

Editors' Suggestion
Large-scale characterization of Cu2O monocrystals via Rydberg excitons
Kerwan Morin, Delphine Lagarde, Angélique Gillet, Xavier Marie, and Thomas Boulier
Phys. Rev. Materials 8, 026202 (2024) – Published 27 February 2024

This research introduces a novel experimental technique to characterize Rydberg excitons in copper oxide (Cu2O) crystals with sub-micron resolution. By employing spatially resolved resonant absorption spectroscopy and photoluminescence imaging, the study unveils the influence of optically-active charged oxygen vacancies on Rydberg excitons. This approach yields comprehensive spatial maps of exciton properties, including energy, linewidth, and peak absorption without any mobile part, providing valuable insights into crystal quality. The findings highlight the predominant role of charged oxygen vacancies in influencing Rydberg excitons in Cu2O and offer a reliable method for assessing crystal quality in view of solid-state Rydberg physics.

Editors' Suggestion
Guiding diamond spin qubit growth with computational methods
Jonathan C. Marcks, Mykyta Onizhuk, Nazar Delegan, Yu-Xin Wang (王语馨), Masaya Fukami, Maya Watts, Aashish A. Clerk, F. Joseph Heremans, Giulia Galli, and David D. Awschalom
Phys. Rev. Materials 8, 026204 (2024) – Published 28 February 2024

Spin defects in semiconductors play a major role in quantum technologies. Synthesizing high-quality spin qubits relies on controlling the incorporation of noise sources, such as other, unwanted spin defects, into the host crystal. In this work, the authors provide quantitative calculations of the coherence properties of spin qubits in diamond. They incorporate these results into an existing materials synthesis platform to develop predictive models and in situ feedback for more reliable creation of qubits tailored to applications.

Editors' Suggestion Letter
Lateral solid phase epitaxy of yttrium iron garnet
Sebastian Sailler, Darius Pohl, Heike Schlörb, Bernd Rellinghaus, Andy Thomas, Sebastian T. B. Goennenwein, and Michaela Lammel
Phys. Rev. Materials 8, L020402 (2024) – Published 29 February 2024

Yttrium iron garnet (YIG) is a prototypical material in the fields of spintronics and magnonics due to its exceptional magnetic properties. However, up to now, the focus has been on planar YIG thin films owing to the challenges associated with manufacturing non-planar structures. Here, the authors demonstrate the fabrication of single crystalline YIG via lateral solid phase epitaxy on top of an artificially defined SiOx mesa over micrometer length scales. The reported results lay the foundation for the development of non-planar, epitaxial YIG thin films as well as free standing YIG structures, while still maintaining complete control over the crystal orientation.

Editors' Suggestion Letter
Topological diffusive metal in amorphous transition metal monosilicides
Selma Franca and Adolfo G. Grushin
Phys. Rev. Materials 8, L021201 (2024) – Published 14 February 2024

Transition metal monosilicides RhSi and CoSi have intriguing physical properties such as long Fermi arc surface states and unusual optical responses. These features originate from multifold fermions - higher spin generalizations of Weyl quasiparticles that are protected by crystalline symmetries. Since these materials are prone to intrinsic disorder, the authors theoretically study topological properties of amorphous RhSi and CoSi. Using the spectral localizer, they find that multifold fermions survive disorder strengths that convert the semimetal into a diffusive metal phase. These conclusions are supported by photoemission simulations showing the presence of Fermi arcs in the corresponding disorder range.

Editors' Suggestion Letter
Electronic structure of nitrogen-doped lutetium hydrides
Adam Denchfield, Hyowon Park, and Russell J. Hemley
Phys. Rev. Materials 8, L021801 (2024) – Published 16 February 2024

Hydrides at high pressures constitute the only materials to be superconducting above 200 K, and are typically marked by an appreciable hydrogen density of states and van Hove singularities at the Fermi energy. Given the recent interest in nitrogen-doped lutetium hydride, the authors focused on finding the structures which would have electronic properties that could plausibly support high-temperature superconductivity within a narrow pressure range. They have identified a narrow range of stoichiometries Lu8H23−xN with hydrogen-dominant conduction states, and found one structure which exhibits a very large hydrogen density of states with an extremely sharp van Hove singularity, whose properties may therefore change dramatically under pressure.

REVIEW ARTICLES

Relationship between molecular structure and corrugations in self-assembled polypeptoid nanosheets revealed by cryogenic electron microscopy
Xi Jiang, Ronald N. Zuckermann, and Nitash P. Balsara
Phys. Rev. Materials 8, 020301 (2024) – Published 13 February 2024

Designing conformationally dynamic molecules that self-assemble into predictable nanostructures remains a significant unmet challenge. This work describes the application of atomic-scale cryogenic transmission electron microscopy (cryo-TEM) to elucidate the relationship between molecular structure and self-assembly of block copolymers. Cryo-TEM images revealed the presence of atomic-scale corrugations in sheet-like micelles that are not anticipated by theories which assume that the surfaces of micelles are smooth. The authors propose that the atomic-scale corrugations are due to the dipolar nature of the monomers and interactions between the monomers and water molecules.

Exploration of complex nanostructures in block copolymers
Hojun Lee, Jihoon Kim, and Moon Jeong Park
Phys. Rev. Materials 8, 020302 (2024) – Published 13 February 2024

Unlocking complex nanostructures like triply periodic minimal surfaces in block copolymer systems poses a crucial hurdle in creating multiscale functional materials. Despite ingenious methods such as interface manipulation, introduction of conformational asymmetry, and chain connectivity regulation, achieving block copolymer self-assembly into nanostructures with high packing frustration remains elusive. In this research update, the authors spotlight the use of end-group chemistry as an effective strategy for stabilizing diverse complex network morphologies beyond the gyroid. Particularly, they redefine phase diagrams by introducing robust end-to-end interactions through end-group and linker chemistry, unveiling unprecedented network structures.

LETTERS

Crystal growth, crystallization, and kinetics

Letter
Onset of uncontrolled polytypism during the Au-catalyzed growth of wurtzite GaAs nanowires
Wouter H. J. Peeters, Marco Vettori, Elham M. T. Fadaly, Alexandre Danescu, Chenyang Mao, Marcel A. Verheijen, and Erik P. A. M. Bakkers
Phys. Rev. Materials 8, L020401 (2024) – Published 27 February 2024
Editors' Suggestion Letter
Lateral solid phase epitaxy of yttrium iron garnet
Sebastian Sailler, Darius Pohl, Heike Schlörb, Bernd Rellinghaus, Andy Thomas, Sebastian T. B. Goennenwein, and Michaela Lammel
Phys. Rev. Materials 8, L020402 (2024) – Published 29 February 2024

Yttrium iron garnet (YIG) is a prototypical material in the fields of spintronics and magnonics due to its exceptional magnetic properties. However, up to now, the focus has been on planar YIG thin films owing to the challenges associated with manufacturing non-planar structures. Here, the authors demonstrate the fabrication of single crystalline YIG via lateral solid phase epitaxy on top of an artificially defined SiOx mesa over micrometer length scales. The reported results lay the foundation for the development of non-planar, epitaxial YIG thin films as well as free standing YIG structures, while still maintaining complete control over the crystal orientation.

Topological and Dirac materials

Editors' Suggestion Letter
Topological diffusive metal in amorphous transition metal monosilicides
Selma Franca and Adolfo G. Grushin
Phys. Rev. Materials 8, L021201 (2024) – Published 14 February 2024

Transition metal monosilicides RhSi and CoSi have intriguing physical properties such as long Fermi arc surface states and unusual optical responses. These features originate from multifold fermions - higher spin generalizations of Weyl quasiparticles that are protected by crystalline symmetries. Since these materials are prone to intrinsic disorder, the authors theoretically study topological properties of amorphous RhSi and CoSi. Using the spectral localizer, they find that multifold fermions survive disorder strengths that convert the semimetal into a diffusive metal phase. These conclusions are supported by photoemission simulations showing the presence of Fermi arcs in the corresponding disorder range.

Superconducting materials

Editors' Suggestion Letter
Electronic structure of nitrogen-doped lutetium hydrides
Adam Denchfield, Hyowon Park, and Russell J. Hemley
Phys. Rev. Materials 8, L021801 (2024) – Published 16 February 2024

Hydrides at high pressures constitute the only materials to be superconducting above 200 K, and are typically marked by an appreciable hydrogen density of states and van Hove singularities at the Fermi energy. Given the recent interest in nitrogen-doped lutetium hydride, the authors focused on finding the structures which would have electronic properties that could plausibly support high-temperature superconductivity within a narrow pressure range. They have identified a narrow range of stoichiometries Lu8H23−xN with hydrogen-dominant conduction states, and found one structure which exhibits a very large hydrogen density of states with an extremely sharp van Hove singularity, whose properties may therefore change dramatically under pressure.

ARTICLES

Crystal growth, crystallization, and kinetics

Single crystal growth of FeRh from AuPb flux
Nikola Subotić, Miwako Takahashi, Takashi Mochiku, Yoshitaka Matsushita, Takanari Kashiwagi, Osamu Takeuchi, Hidemi Shigekawa, and Kazuo Kadowaki
Phys. Rev. Materials 8, 023401 (2024) – Published 13 February 2024

Structural and mechanical properties

Thermoelectric properties of SnSe and SnSe2 single crystals
Abhinna Rajbanshi, Daniel Duong, Eklavya Thareja, Williams A. Shelton, and Rongying Jin
Phys. Rev. Materials 8, 023601 (2024) – Published 20 February 2024
Effects of vacancy transport and surface adsorption on grain boundary migration in pure metals
Alexander F. Chadwick and Peter W. Voorhees
Phys. Rev. Materials 8, 023602 (2024) – Published 27 February 2024

Development of new methods for materials

Thermal expansion and temperature dependence of Raman modes in epitaxial layers of Ge and Ge1−xSnx
Agnieszka Anna Corley-Wiciak, Diana Ryzhak, Marvin Hartwig Zoellner, Costanza Lucia Manganelli, Omar Concepción, Oliver Skibitzki, Detlev Grützmacher, Dan Buca, Giovanni Capellini, and Davide Spirito
Phys. Rev. Materials 8, 023801 (2024) – Published 1 February 2024

Two-dimensional materials

Quasiparticle and excitonic properties of monolayer SrTiO3
Lorenzo Varrassi, Peitao Liu, and Cesare Franchini
Phys. Rev. Materials 8, 024001 (2024) – Published 7 February 2024
Thermal and magnetoelastic properties of the van der Waals ferromagnet Fe3−δGeTe2: Anisotropic spontaneous magnetostriction and ferromagnetic magnon excitations
Reinhard K. Kremer and Eva Brücher
Phys. Rev. Materials 8, 024002 (2024) – Published 9 February 2024
Editors' Suggestion
Quantum oscillations in kagome metals CsTi3Bi5 and RbTi3Bi5
Zackary Rehfuss, Christopher Broyles, David Graf, Yongkang Li, Hengxin Tan, Zhen Zhao, Jiali Liu, Yuhang Zhang, Xiaoli Dong, Haitao Yang, Hongjun Gao, Binghai Yan, and Sheng Ran
Phys. Rev. Materials 8, 024003 (2024) – Published 14 February 2024

We explore quantum oscillations in the kagome metals CsTi3Bi5 and RbTi3Bi5, using high magnetic fields and low temperatures. We reveal new quantum oscillation frequencies in CsTi3Bi5, showing a complex Fermi surface that matches density functional theory predictions. Interestingly, the Rb compound exhibits notably different results from the Cs compound, despite theoretical expectations of similarity. This work deepens our understanding of the electronic intricacies within kagome lattice systems and spotlights their role as a playground for unearthing novel quantum states. Our findings pave the way for future investigations in the quantum behaviors of kagome metals, offering insights for advanced material development.

Competition of disorder and electron-phonon coupling in 2H−TaSe2−xSx (0≤x≤2) as evidenced by Raman spectroscopy
J. Blagojević, S. Djurdjić Mijin, J. Bekaert, M. Opačić, Y. Liu, M. V. Milošević, C. Petrović, Z. V. Popović, and N. Lazarević
Phys. Rev. Materials 8, 024004 (2024) – Published 21 February 2024
Robust Zeeman-type band splitting in sliding ferroelectrics
Homayoun Jafari, Evgenii Barts, Przemysław Przybysz, Karma Tenzin, Paweł J. Kowalczyk, Paweł Dabrowski, and Jagoda Sławińska
Phys. Rev. Materials 8, 024005 (2024) – Published 28 February 2024

Topological and Dirac materials

High-throughput screening of Weyl semimetals
Davide Grassano, Nicola Marzari, and Davide Campi
Phys. Rev. Materials 8, 024201 (2024) – Published 9 February 2024

Magnetic, ferroelectric, and multiferroic materials

Multiferroism in strained strontium hexaferrite epitaxial thin films
Joonhyuk Lee, Sam Yeon Cho, Inhwan Kim, Christopher M. Rouleau, Kungwan Kang, Sangkyun Ryu, Yunseok Heo, Jong K. Keum, Daniel M. Pajerowski, Younghak Kim, Sang Don Bu, Jaekwang Lee, and Hyoungjeen Jeen
Phys. Rev. Materials 8, 024401 (2024) – Published 5 February 2024
High-pressure effects on structural, magnetic, and vibrational properties of van der Waals antiferromagnet MnPS3
D. P. Kozlenko, O. N. Lis, N. T. Dang, M. Coak, J.-G. Park, E. V. Lukin, S. E. Kichanov, N. O. Golosova, I. Yu. Zel, and B. N. Savenko
Phys. Rev. Materials 8, 024402 (2024) – Published 6 February 2024
Microscopic insights on field induced switching and domain wall motion in orthorhombic ferroelectrics
Ruben Khachaturyan, Yijing Yang, Sheng-Han Teng, Benjamin Udofia, Markus Stricker, and Anna Grünebohm
Phys. Rev. Materials 8, 024403 (2024) – Published 7 February 2024
Editors' Suggestion
Orbital degree of freedom in high entropy oxides
Jiaqiang Yan, Abinash Kumar, Miaofang Chi, Matthew Brahlek, Thomas Z. Ward, and Michael A. McGuire
Phys. Rev. Materials 8, 024404 (2024) – Published 7 February 2024

Understanding strongly correlated physics of electronic-driven orbital ordering in transition metal compounds has presented many long-standing questions. Utilizing high-entropy oxides have enabled understanding that disorder can unlock an unusual intermixing of orbital and spin in the rare-earth vanadate, RVO3, which shows that the average and variance of ionic radius determine and control unusual properties of the spin and orbital order. The ability to systematically control variance of the local structure in high-quality crystals which hold constant charge and spin is crucial for a deeper understanding and exploring unanswered decades-old question regarding the physics of the Kugel-Khomskii compounds.

Successive magnetic phase transitions with magnetoelastic and magnetodielectric coupling in the ordered triple perovskite Sr3CaRu2O9
Arun Kumar, Pascal Manuel, and Sunil Nair
Phys. Rev. Materials 8, 024405 (2024) – Published 13 February 2024
Mastering disorder in a first-order transition by ion irradiation
S. Cervera, M. LoBue, E. Fontana, M. Eddrief, V. H. Etgens, E. Lamour, S. Macé, M. Marangolo, E. Plouet, C. Prigent, S. Steydli, D. Vernhet, and M. Trassinelli
Phys. Rev. Materials 8, 024406 (2024) – Published 13 February 2024
Insights into ε−Fe2O3 interactions via Cr doping
Rachel Nickel, Chengjun Sun, Debora Motta Meira, Padraic Shafer, and Johan van Lierop
Phys. Rev. Materials 8, 024407 (2024) – Published 16 February 2024
Editors' Suggestion
Giant interfacial in-plane magnetic anisotropy in Co/Pt bilayers grown on MgO(110) substrates
Chao Zhou, Jia Xu, and Yizheng Wu
Phys. Rev. Materials 8, 024408 (2024) – Published 21 February 2024

A material with strong in-plane magnetic anisotropy is crucial for determining the magnetization configuration of magnetic materials and their applications in high-density and high-frequency devices. Here, the authors successfully reported a giant interfacial uniaxial in-plane anisotropy in Co/Pt(110) bilayers, which is five times larger than that in Co/Pt(111), the most popular magnetic thin film with perpendicular magnetic anisotropy. Furthermore, such large interfacial magnetic anisotropy can be enhanced by forming a Pt/Co/Pt sandwich structure. These results enabled the integration of in-plane magnetic anisotropy systems into spintronic devices with increased speed and density.

Editors' Suggestion
Tuning of spin-orbit coupling in chiral molecule-incorporated two-dimensional organic-inorganic hybrid perovskite copper halides with ferromagnetic exchange interactions
Kouji Taniguchi, Po-Jung Huang, Hajime Sagayama, Ryoji Kiyanagi, Kazuki Ohishi, Shunsuke Kitou, Yuiga Nakamura, and Hitoshi Miyasaka
Phys. Rev. Materials 8, 024409 (2024) – Published 23 February 2024

Simultaneous control of noncentrosymmetry and spin-orbit-coupling strength has been demonstrated in a series of chiral molecule-incorporated two-dimensional organic-inorganic hybrid perovskite copper halides (2D-OIHPs) with ferromagnetic exchange interaction. By substituting the halogen from Cl to Br, a systematic change of the magnetic phase diagram from the simple ferromagnetic phase to complicated multiple phases has been observed. This change is due to competition between the ferromagnetic exchange interaction and the Dzyaloshinskii-Moriya interaction. Materials design focusing on the structural flexibility of 2D-OIHP could pave the way to developing new types of nontrivial topological spin systems.

Emergence of half-metallic ferromagnetism in transition metal substituted Na0.5Bi0.5TiO3
Chandan Kumar Vishwakarma and B. K. Mani
Phys. Rev. Materials 8, 024410 (2024) – Published 26 February 2024
Ca3Ru2O7: Interplay among degrees of freedom and the role of the exchange correlation
A. M León, J. W. González, and H. Rosner
Phys. Rev. Materials 8, 024411 (2024) – Published 27 February 2024

Semiconducting materials

Investigation of the structure-transport correlation in metal phthalocyanine thin films
Sabyasachi Karmakar, Mrinmay K. Mukhopadhyay, and Milan K. Sanyal
Phys. Rev. Materials 8, 024601 (2024) – Published 8 February 2024
Editors' Suggestion
Nanoscale dynamics of hydrogen in VO2 studied by μSR
H. Okabe, M. Hiraishi, A. Koda, Y. Matsushita, T. Ohsawa, N. Ohashi, and R. Kadono
Phys. Rev. Materials 8, 024602 (2024) – Published 13 February 2024

Vanadium dioxide (VO2) is a promising next-generation electronic material for artificial neural networks. Here, the authors use muon spin spectroscopy to provide a microscopic basis for understanding nanoscale hydrogen diffusion in VO2, using muons as a microscopic simulator of dilute hydrogen. This innovation allows the authors to investigate the dynamics of trace hydrogen in nanoscale regions such as thin films, which is very difficult to achieve with conventional methods. This study is expected not only to make a significant contribution to the development of VO2 devices but also to provide a unique method for observing the dynamics of hydrogen at the nanoscale.

X-ray absorption spectroscopy of oligothiophene crystals from many-body perturbation theory
Konstantin Lion, Caterina Cocchi, and Claudia Draxl
Phys. Rev. Materials 8, 024603 (2024) – Published 27 February 2024

Superconducting materials

Superconductivity in compositionally complex cuprates with the YBa2Cu3O7−x structure
Aditya Raghavan, Nathan D. Arndt, Nayelie Morales-Colón, Eli Wennen, Megan Wolfe, Carolina Oliveira Gandin, Kade Nelson, Robert Nowak, Sam Dillon, Keon Sahebkar, and Ryan F. Need
Phys. Rev. Materials 8, 024801 (2024) – Published 20 February 2024
Editors' Suggestion
Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates
Ruby A. Shi, Bai Yang Wang, Yusuke Iguchi, Motoki Osada, Kyuho Lee, Berit H. Goodge, Lena F. Kourkoutis, Harold Y. Hwang, and Kathryn A. Moler
Phys. Rev. Materials 8, 024802 (2024) – Published 21 February 2024

This work studied superconductivity and magnetism in infinite-layer nickelate films with scanning SQUID and cross-sectional STEM. The authors found a landscape of superparamagnetism from NiOx nanoparticles that are extrinsic to the superconductivity. They imaged superconducting vortices and determined the penetration depth. They measured the local diamagnetism, finding a consistent value of the penetration depth. The superfluid density exhibits nearly T-linear dependence, suggesting possible d-wave superconductivity. Using scanning SQUID to image the various sources of magnetism in superconducting nickelates paves the way for further studies of vortex dynamics and flux quantization in these recently discovered superconductors.

Heteroanionic stabilization of Ni1+ with nonplanar coordination in layered nickelates
Jaye K. Harada, Nenian Charles, Nathan Z. Koocher, Yiran Wang, Kendall R. Kamp, Makayla R. Baxter, Kenneth R. Poeppelmeier, Danilo Puggioni, and James M. Rondinelli
Phys. Rev. Materials 8, 024803 (2024) – Published 22 February 2024
Editors' Suggestion
Observation of van der Waals phonons in the single-layer cuprate (Bi,Pb)2(Sr,La)2CuO6+δ
Y. Y. Peng, I. Boukahil, K. Krongchon, Q. Xiao, A. A. Husain, Sangjun Lee, Q. Z. Li, A. Alatas, A. H. Said, H. T. Yan, Y. Ding, L. Zhao, X. J. Zhou, T. P. Devereaux, L. K. Wagner, C. D. Pemmaraju, and P. Abbamonte
Phys. Rev. Materials 8, 024804 (2024) – Published 26 February 2024

Interlayer van der Waals (vdW) coupling is ubiquitous in two-dimensional materials. The authors explore these interactions in the cuprate (Bi, Pb)2(Sr,La)2CuO6+δ, revealing ultra-low energy phonon modes similar to graphene and transition metal dichalcogenides. Using high-resolution inelastic hard x-ray scattering and first-principles simulations, they reveal vdW phonons from the shear motion of adjacent Bi-O layers. These findings deepen our understanding of the vibrational properties of cuprates and suggest opportunities for the design of novel heterostructures. These results highlight the generic nature of vdW modes in layered materials, including doped copper oxides, and provide insights for future materials design and research.

Other electronic materials

Correlation between electronic polarization and shift current in cubic and hexagonal semiconductors LiZnX (X=P, As, Sb)
Urmimala Dey, Jeroen van den Brink, and Rajyavardhan Ray
Phys. Rev. Materials 8, 025001 (2024) – Published 15 February 2024

Metamaterials, optical, photonic, and plasmonic materials

Thermalization of electron-hole pairs in LaBr3, CeBr3 and CLLB: Monte Carlo simulation
Fei Gao, Zhe Shi, Ju Li, and Jarek Glodo
Phys. Rev. Materials 8, 025201 (2024) – Published 5 February 2024
Linear electro-optic effect in trigonal LiNbO3: A first-principles study
Inhwan Kim and Alexander A. Demkov
Phys. Rev. Materials 8, 025202 (2024) – Published 28 February 2024

Materials for energy harvesting, storage, and generation

First-principles determination of the phonon-point defect scattering and thermal transport due to fission products in ThO2
Linu Malakkal, Ankita Katre, Shuxiang Zhou, Chao Jiang, David H. Hurley, Chris A. Marianetti, and Marat Khafizov
Phys. Rev. Materials 8, 025401 (2024) – Published 8 February 2024
Atomistic simulations of nuclear fuel UO2 with machine learning interatomic potentials
Eliott T. Dubois, Julien Tranchida, Johann Bouchet, and Jean-Bernard Maillet
Phys. Rev. Materials 8, 025402 (2024) – Published 14 February 2024
Structural, optical, and electronic properties of single crystals of 4H lead-based hexagonal hybrid perovskite
Florent Pawula, Ali Fakih, Stanislav Péchev, Ramzy Daou, Daniele Mantione, Oleg Lebedev, Antoine Maignan, Georges Hadziioannou, Sylvie Hébert, and Guillaume Fleury
Phys. Rev. Materials 8, 025403 (2024) – Published 28 February 2024

Soft, molecular, and amorphous materials

Useful strategy for assuming complex ordered phases possibly formed by ABC-type block copolymers
Qingshu Dong, Luyang Li, Zhanwen Xu, and Weihua Li
Phys. Rev. Materials 8, 025601 (2024) – Published 2 February 2024

ABC-type block copolymers can self-assemble into a great variety of complex ordered structures due to their large parameter space as well as highly designable architectures. However, due to their complexity, the potential of ABC-type block copolymers is far from being fully explored. A starting point in unlocking the potential of ABC-type block copolymers is to speculate on what structures they can form. In this work, the authors propose a useful rule to systematically assume ordered structures possibly formed by ABC-type block copolymers. Through this strategy, they construct a series of ABCtype structures. Some of these fascinating novel structures are expected to have special properties, which may be obtained by properly designing the architecture of ABC-type block copolymers. Finally, the authors verify the effectiveness of this strategy by SCFT calculations.

Classifying the age of a glass based on structural properties: A machine learning approach
Giulia Janzen, Casper Smit, Samantha Visbeek, Vincent E. Debets, Chengjie Luo, Cornelis Storm, Simone Ciarella, and Liesbeth M. C. Janssen
Phys. Rev. Materials 8, 025602 (2024) – Published 21 February 2024

Nanomaterials

Electrified fracture of nanotube films
Jinbo Bian, Shijun Wang, Zhaokuan Yu, Zhong Zhang, and Zhiping Xu
Phys. Rev. Materials 8, 026001 (2024) – Published 15 February 2024

Materials for Quantum Technologies

Current-induced magnetization switching in a magnetic topological insulator heterostructure
Erik Zimmermann, Justus Teller, Michael Schleenvoigt, Gerrit Behner, Peter Schüffelgen, Hans Lüth, Detlev Grützmacher, and Thomas Schäpers
Phys. Rev. Materials 8, 026201 (2024) – Published 20 February 2024
Editors' Suggestion
Large-scale characterization of Cu2O monocrystals via Rydberg excitons
Kerwan Morin, Delphine Lagarde, Angélique Gillet, Xavier Marie, and Thomas Boulier
Phys. Rev. Materials 8, 026202 (2024) – Published 27 February 2024

This research introduces a novel experimental technique to characterize Rydberg excitons in copper oxide (Cu2O) crystals with sub-micron resolution. By employing spatially resolved resonant absorption spectroscopy and photoluminescence imaging, the study unveils the influence of optically-active charged oxygen vacancies on Rydberg excitons. This approach yields comprehensive spatial maps of exciton properties, including energy, linewidth, and peak absorption without any mobile part, providing valuable insights into crystal quality. The findings highlight the predominant role of charged oxygen vacancies in influencing Rydberg excitons in Cu2O and offer a reliable method for assessing crystal quality in view of solid-state Rydberg physics.

Detecting nitrogen-vacancy-hydrogen centers on the nanoscale using nitrogen-vacancy centers in diamond
Christoph Findler, Rémi Blinder, Karolina Schüle, Priyadharshini Balasubramanian, Christian Osterkamp, and Fedor Jelezko
Phys. Rev. Materials 8, 026203 (2024) – Published 28 February 2024
Editors' Suggestion
Guiding diamond spin qubit growth with computational methods
Jonathan C. Marcks, Mykyta Onizhuk, Nazar Delegan, Yu-Xin Wang (王语馨), Masaya Fukami, Maya Watts, Aashish A. Clerk, F. Joseph Heremans, Giulia Galli, and David D. Awschalom
Phys. Rev. Materials 8, 026204 (2024) – Published 28 February 2024

Spin defects in semiconductors play a major role in quantum technologies. Synthesizing high-quality spin qubits relies on controlling the incorporation of noise sources, such as other, unwanted spin defects, into the host crystal. In this work, the authors provide quantitative calculations of the coherence properties of spin qubits in diamond. They incorporate these results into an existing materials synthesis platform to develop predictive models and in situ feedback for more reliable creation of qubits tailored to applications.

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