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Physical Review Materials

Volume 8, Issue 4

April 2024
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HIGHLIGHTED ARTICLES

EDITORS' SUGGESTION

Polarizability models for simulations of finite temperature Raman spectra from machine learning molecular dynamics

Ethan Berger and Hannu-Pekka Komsa

Phys. Rev. Materials 8, 043802 (2024) - Published 12 April, 2024

While the efficacy of machine learning (ML) force fields in simulating molecular dynamics (MD) trajectories has already been well established, simulating Raman spectra from them requires polarizability models which are much less explored. In this work, three polarizability models are compared using three widely different materials, namely boron arsenide, 2D molybdenum disulfide and inorganic halide perovskites. The Raman spectra are obtained in combination with ML MD and compared to experiments, allowing us to highlight the advantages and shortcomings of each model.

EDITORS' SUGGESTION

High-throughput hybrid-functional DFT calculations of bandgaps and formation energies and multifidelity learning with uncertainty quantification

Mohan Liu, Abhijith Gopakumar, Vinay Ishwar Hegde, Jiangang He, and Chris Wolverton

Phys. Rev. Materials 8, 043803 (2024) - Published 16 April, 2024

The authors computed bandgaps and formation energy values of more than 1100 crystalline materials‬ using Density Functional Theory (DFT) with HSE‬ and PBE approximations of the pseudopotentials. They analyzed accuracies of HSE and PBE approximations among different classes of materials. They also built a multi-fidelity machine learning model to predict the bandgap at HSE accuracy when a material’s PBE bandgap‬ is known. The new high-throughput DFT (HSE, PBE) data of more than 1100 materials and the predicted‬ HSE bandgap data of more than 21,000 materials are available publicly via a dedicated web app.

EDITORS' SUGGESTION

Confinement of magnetic solitons and edge states in a van der Waals material: FeOCl

Martin Panthöfer, Stefanie Berinskat, Fabian Predelli, Peter Lemmens, and Angela Möller

Phys. Rev. Materials 8, 044003 (2024) - Published 15 April, 2024

This paper reports that domain-wall-like modes govern the magnetic response of the van der Waals material FeOCl. Due to boundaries, these excitations condense into an unconventional magnetic order with a diffusional dynamics as probed by Mössbauer spectroscopy and Raman scattering. These results have implications for a better understanding of fundamental aspects of soliton-like excitations as well as topological magnetism and related information storage. The authors highlight that the observed phenomenology and proposed condensation of solitons into topological edge states is a generic feature of non-linear systems with confinement.

EDITORS' SUGGESTION

Growth and characterization of α-Sn thin films on In- and Sb-rich reconstructions of InSb(001)

Aaron N. Engel, Connor P. Dempsey, Hadass S. Inbar, Jason T. Dong, Shinichi Nishihaya, Yuhao Chang, Alexei V. Fedorov, Makoto Hashimoto, Donghui Lu, and Christopher J. Palmstrøm

Phys. Rev. Materials 8, 044202 (2024) - Published 15 April, 2024

α-Sn, the inversion symmetric analogue of HgTe, can be tuned through various topologically non-trivial phases by a combination of strain and/or confinement effects. In addition, thin films of α-Sn have demonstrated very efficient spin-charge conversion. However, α-Sn thin films grown on InSb have been plagued by heavy incorporation of the p-type dopant indium. To better study and make use of the topological phases in α-Sn, this indium doping must be minimized. The authors realize this reduction by tuning the surface reconstruction of InSb(001) on which molecular beam epitaxy growth of α-Sn is initiated. The low indium doping is verified by both photoemission and magnetotransport measurements. The accessibility of the surface Dirac node in angle-resolved photoemission spectroscopy—made possible by the substrate preparation procedure—allows direct measurements of the effect of confinement and epitaxial strain on the topological phase in this system.

EDITORS' SUGGESTION

Disorder-driven localization and electron interactions in BixTeI thin films

Paul Corbae, Nicolai Taufertshöfer, Ellis Kennedy, Mary Scott, and Frances Hellman

Phys. Rev. Materials 8, 044204 (2024) - Published 25 April, 2024

In this work, we investigate the effect of strong disorder on BixTeI thin films, revealing a metal-insulator transition that depends on composition and the growth temperature. Understanding how disorder can be used as a parameter to alter the electronic properties of a material goes beyond the conventional understanding of crystalline material conductivity. This study therefore highlights the role of strong localization in disordered materials in shaping emerging quantum properties.

EDITORS' SUGGESTION

Ultrashallow heavily constrained quantum wells: The cradle for fully electrically controlled and microwave coupled quantum bits

Yiwen Zhang, Zonghu Li, Yuchen Zhou, Yuhui Ren, Jiahan Ke, Jiale Su, Yanpeng Song, Jun Deng, Yang Liu, Runze Zhang, Haiou Li, Baochuan Wang, Zhenhua Wu, Jun Luo, Zhenzhen Kong, Gang Cao, Guoping Guo, Chao Zhao, and Guilei Wang

Phys. Rev. Materials 8, 046203 (2024) - Published 25 April, 2024

The study focuses on the systematic growth and characterization of material properties, as well as the low-temperature transport properties, of ultrashallow heavily strained quantum wells. A new characterization method, called Density of Stress Accumulation Points, has been introduced for assessing quantum well strain. An ultrashallow heavily constrained quantum well with a remarkable mobility of 3.382×105 cm2/Vs was successfully achieved. This achievement serves as the foundation for the development of fully electrically controlled and microwave cavity-coupled quantum dot materials.

EDITORS' SUGGESTION
LETTER

Piezomagnetic properties in altermagnetic MnTe

Takuya Aoyama and Kenya Ohgushi

Phys. Rev. Materials 8, L041402 (2024) - Published 1 April, 2024

This study presents experimental results of the piezomagnetic effect in MnTe, one of the candidate materials for altermagnets. The piezomagnetic effect is a cross-correlation between magnetization and stress that is allowed in materials with broken time-reversal symmetry. The authors observed magnetization proportional to the stress below the antiferromagnetic transition temperature, indicating that MnTe has characteristics of altermagnets. They also demonstrated that the altermagnetic domains can be controlled via the piezomagnetic effect.

EDITORS' SUGGESTION
LETTER

Molecular beam epitaxy of superconducting FeSexTe1−x thin films interfaced with magnetic topological insulators

Yuki Sato, Soma Nagahama, Ilya Belopolski, Ryutaro Yoshimi, Minoru Kawamura, Atsushi Tsukazaki, Naoya Kanazawa, Kei S. Takahashi, Masashi Kawasaki, and Yoshinori Tokura

Phys. Rev. Materials 8, L041801 (2024) - Published 11 April, 2024

The observation of Majorana anyons is a long-sought challenge in physics, but has been hindered by lack of high-quality materials. The authors fabricate a heterostructure with an atomically sharp interface between a quantum anomalous Hall insulator and superconductor, for the first time. This unique quantum material should enable the unambiguous observation of chiral Majorana edge states and braiding of non-Abelian anyons without magnetic field.

LETTERS

Topological and Dirac materials

LETTER

Electronic structure in a rare-earth based nodal-line semimetal candidate PrSbTe

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

Phys. Rev. Materials 8, L041201 (2024) - Published 1 April, 2024

LETTER

Importance of the semimetallic state for the quantum Hall effect in HfTe5

M. M. Piva, R. Wawrzyńczak, Nitesh Kumar, L. O. Kutelak, G. A. Lombardi, R. D. dos Reis, C. Felser, and M. Nicklas

Phys. Rev. Materials 8, L041202 (2024) - Published 29 April, 2024

Magnetic, ferroelectric, and multiferroic materials

LETTER

Giant anisotropy of magnetic damping in an epitaxial Cr/Fe bilayer with the absence of magnetocrystalline anisotropy

Thanh-Huong Thi Nguyen, Jungmin Park, Jae-Hyun Ha, Soogil Lee, Van Quang Nguyen, Nyun Jong Lee, Byong-Guk Park, Sunglae Cho, Jung-Il Hong, and Sanghoon Kim

Phys. Rev. Materials 8, L041401 (2024) - Published 1 April, 2024

EDITORS' SUGGESTION
LETTER

Piezomagnetic properties in altermagnetic MnTe

Takuya Aoyama and Kenya Ohgushi

Phys. Rev. Materials 8, L041402 (2024) - Published 1 April, 2024

This study presents experimental results of the piezomagnetic effect in MnTe, one of the candidate materials for altermagnets. The piezomagnetic effect is a cross-correlation between magnetization and stress that is allowed in materials with broken time-reversal symmetry. The authors observed magnetization proportional to the stress below the antiferromagnetic transition temperature, indicating that MnTe has characteristics of altermagnets. They also demonstrated that the altermagnetic domains can be controlled via the piezomagnetic effect.

Superconducting materials

EDITORS' SUGGESTION
LETTER

Molecular beam epitaxy of superconducting FeSexTe1−x thin films interfaced with magnetic topological insulators

Yuki Sato, Soma Nagahama, Ilya Belopolski, Ryutaro Yoshimi, Minoru Kawamura, Atsushi Tsukazaki, Naoya Kanazawa, Kei S. Takahashi, Masashi Kawasaki, and Yoshinori Tokura

Phys. Rev. Materials 8, L041801 (2024) - Published 11 April, 2024

The observation of Majorana anyons is a long-sought challenge in physics, but has been hindered by lack of high-quality materials. The authors fabricate a heterostructure with an atomically sharp interface between a quantum anomalous Hall insulator and superconductor, for the first time. This unique quantum material should enable the unambiguous observation of chiral Majorana edge states and braiding of non-Abelian anyons without magnetic field.

ARTICLES

Crystal growth, crystallization, and kinetics

Incomplete monolayer regime and mixed regime of nanowire growth

Frank Glas

Phys. Rev. Materials 8, 043401 (2024) - Published 1 April, 2024

Crystallization dynamics of amorphous yttrium iron garnet thin films

Sebastian Sailler, Gregor Skobjin, Heike Schlörb, Benny Boehm, Olav Hellwig, Andy Thomas, Sebastian T. B. Goennenwein, and Michaela Lammel

Phys. Rev. Materials 8, 043402 (2024) - Published 8 April, 2024

Tuning of Berry-curvature dipole in TaAs slabs: An effective route to enhance the nonlinear Hall response

Hongsheng Pang, Gan Jin, and Lixin He

Phys. Rev. Materials 8, 043403 (2024) - Published 16 April, 2024

Structural and mechanical properties

Vibrational and thermal properties of amorphous alumina from first principles

Angela F. Harper, Kamil Iwanowski, William C. Witt, Mike C. Payne, and Michele Simoncelli

Phys. Rev. Materials 8, 043601 (2024) - Published 2 April, 2024

General purpose potential for glassy and crystalline phases of Cu-Zr alloys based on the ACE formalism

Niklas Leimeroth, Jochen Rohrer, and Karsten Albe

Phys. Rev. Materials 8, 043602 (2024) - Published 16 April, 2024

Large-scale atomistic simulation of diffusion in refractory metals and alloys

Sergei Starikov, Petr Grigorev, Ralf Drautz, and Sergiy V. Divinski

Phys. Rev. Materials 8, 043603 (2024) - Published 22 April, 2024

Analysis of lattice locations of deuterium in tungsten and its application for predicting deuterium trapping conditions

Xin Jin, Flyura Djurabekova, Etienne A. Hodille, Sabina Markelj, and Kai Nordlund

Phys. Rev. Materials 8, 043604 (2024) - Published 30 April, 2024

Development of new methods for materials

Local laser-induced solid-phase recrystallization of phosphorus-implanted Si/SiGe heterostructures for contacts below 4.2 K

Malte Neul, Isabelle V. Sprave, Laura K. Diebel, Lukas G. Zinkl, Florian Fuchs, Yuji Yamamoto, Christian Vedder, Dominique Bougeard, and Lars R. Schreiber

Phys. Rev. Materials 8, 043801 (2024) - Published 12 April, 2024

EDITORS' SUGGESTION

Polarizability models for simulations of finite temperature Raman spectra from machine learning molecular dynamics

Ethan Berger and Hannu-Pekka Komsa

Phys. Rev. Materials 8, 043802 (2024) - Published 12 April, 2024

While the efficacy of machine learning (ML) force fields in simulating molecular dynamics (MD) trajectories has already been well established, simulating Raman spectra from them requires polarizability models which are much less explored. In this work, three polarizability models are compared using three widely different materials, namely boron arsenide, 2D molybdenum disulfide and inorganic halide perovskites. The Raman spectra are obtained in combination with ML MD and compared to experiments, allowing us to highlight the advantages and shortcomings of each model.

EDITORS' SUGGESTION

High-throughput hybrid-functional DFT calculations of bandgaps and formation energies and multifidelity learning with uncertainty quantification

Mohan Liu, Abhijith Gopakumar, Vinay Ishwar Hegde, Jiangang He, and Chris Wolverton

Phys. Rev. Materials 8, 043803 (2024) - Published 16 April, 2024

The authors computed bandgaps and formation energy values of more than 1100 crystalline materials‬ using Density Functional Theory (DFT) with HSE‬ and PBE approximations of the pseudopotentials. They analyzed accuracies of HSE and PBE approximations among different classes of materials. They also built a multi-fidelity machine learning model to predict the bandgap at HSE accuracy when a material’s PBE bandgap‬ is known. The new high-throughput DFT (HSE, PBE) data of more than 1100 materials and the predicted‬ HSE bandgap data of more than 21,000 materials are available publicly via a dedicated web app.

Understanding the flat thermal conductivity of La2Zr2O7 at ultrahigh temperatures

Hao Zhou, Janak Tiwari, and Tianli Feng

Phys. Rev. Materials 8, 043804 (2024) - Published 25 April, 2024

Intricate short-range order in GeSn alloys revealed by atomistic simulations with highly accurate and efficient machine-learning potentials

Shunda Chen, Xiaochen Jin, Wanyu Zhao, and Tianshu Li

Phys. Rev. Materials 8, 043805 (2024) - Published 29 April, 2024

Exploring diffusion behavior of superionic materials using machine-learning interatomic potentials

Cheng-Rong Hsing, Duc-Long Nguyen, and Ching-Ming Wei

Phys. Rev. Materials 8, 043806 (2024) - Published 30 April, 2024

Two-dimensional materials

Size-dependent ferroelectric-to-paraelectric sliding transformations and antipolar-to-ferroelectric topological phase transitions in binary homobilayers

Alejandro Pacheco-Sanjuan, Pradeep Kumar, and Salvador Barraza-Lopez

Phys. Rev. Materials 8, 044001 (2024) - Published 1 April, 2024

First-principles analysis of intercalated Pb structures under buffer-layer graphene on SiC(0001): Pb(111)-, plumbene-, and amorphous-like Pb layers

Yong Han, Marek Kolmer, James W. Evans, and Michael C. Tringides

Phys. Rev. Materials 8, 044002 (2024) - Published 4 April, 2024

EDITORS' SUGGESTION

Confinement of magnetic solitons and edge states in a van der Waals material: FeOCl

Martin Panthöfer, Stefanie Berinskat, Fabian Predelli, Peter Lemmens, and Angela Möller

Phys. Rev. Materials 8, 044003 (2024) - Published 15 April, 2024

This paper reports that domain-wall-like modes govern the magnetic response of the van der Waals material FeOCl. Due to boundaries, these excitations condense into an unconventional magnetic order with a diffusional dynamics as probed by Mössbauer spectroscopy and Raman scattering. These results have implications for a better understanding of fundamental aspects of soliton-like excitations as well as topological magnetism and related information storage. The authors highlight that the observed phenomenology and proposed condensation of solitons into topological edge states is a generic feature of non-linear systems with confinement.

First-principles study on the electronic properties and Schottky barrier of WC/WS2 and WC/WSe2 heterostructures

Jiayang Wang, Alexander Sredenschek, David Sanchez, Mauricio Terrones, and Susan Sinnott

Phys. Rev. Materials 8, 044004 (2024) - Published 18 April, 2024

Topological and Dirac materials

Intrinsic spin Hall effect in topological semimetals with single Dirac nodal ring

Jiali Chen, Run-Wu Zhang, Zhi-Ming Yu, Wei Jiang, and Yugui Yao

Phys. Rev. Materials 8, 044201 (2024) - Published 3 April, 2024

EDITORS' SUGGESTION

Growth and characterization of α-Sn thin films on In- and Sb-rich reconstructions of InSb(001)

Aaron N. Engel, Connor P. Dempsey, Hadass S. Inbar, Jason T. Dong, Shinichi Nishihaya, Yuhao Chang, Alexei V. Fedorov, Makoto Hashimoto, Donghui Lu, and Christopher J. Palmstrøm

Phys. Rev. Materials 8, 044202 (2024) - Published 15 April, 2024

α-Sn, the inversion symmetric analogue of HgTe, can be tuned through various topologically non-trivial phases by a combination of strain and/or confinement effects. In addition, thin films of α-Sn have demonstrated very efficient spin-charge conversion. However, α-Sn thin films grown on InSb have been plagued by heavy incorporation of the p-type dopant indium. To better study and make use of the topological phases in α-Sn, this indium doping must be minimized. The authors realize this reduction by tuning the surface reconstruction of InSb(001) on which molecular beam epitaxy growth of α-Sn is initiated. The low indium doping is verified by both photoemission and magnetotransport measurements. The accessibility of the surface Dirac node in angle-resolved photoemission spectroscopy—made possible by the substrate preparation procedure—allows direct measurements of the effect of confinement and epitaxial strain on the topological phase in this system.

Second-order topological insulators in two-dimensional monolayers of the 1T-phase PtSe2 material class

Guozhi Long, Mingxiang Pan, Hui Zeng, and Huaqing Huang

Phys. Rev. Materials 8, 044203 (2024) - Published 22 April, 2024

EDITORS' SUGGESTION

Disorder-driven localization and electron interactions in BixTeI thin films

Paul Corbae, Nicolai Taufertshöfer, Ellis Kennedy, Mary Scott, and Frances Hellman

Phys. Rev. Materials 8, 044204 (2024) - Published 25 April, 2024

In this work, we investigate the effect of strong disorder on BixTeI thin films, revealing a metal-insulator transition that depends on composition and the growth temperature. Understanding how disorder can be used as a parameter to alter the electronic properties of a material goes beyond the conventional understanding of crystalline material conductivity. This study therefore highlights the role of strong localization in disordered materials in shaping emerging quantum properties.

Magnetic, ferroelectric, and multiferroic materials

Magnetotransport properties of epitaxial films and Hall bar devices of the correlated layered ruthenate Sr3Ru2O7

Prosper Ngabonziza, Anand Sharma, Anna Scheid, Sethulakshmi Sajeev, Peter A. van Aken, and Jochen Mannhart

Phys. Rev. Materials 8, 044401 (2024) - Published 1 April, 2024

Magnon-drag and field-direction dependent thermopower in low-damping ferromagnetic Co25Fe75 alloy thin films

M. R. Natale, D. J. Wesenberg, and B. L. Zink

Phys. Rev. Materials 8, 044402 (2024) - Published 3 April, 2024

Interfacial magnetic characteristics of nearly compensated gadolinium iron garnet

Karthik Srinivasan, Alexander J. Grutter, Thomas E. Gage, Paige Quarterman, Christy J. Kinane, Andrew J. Caruana, Guichuan Yu, Javier Garcia-Barriocanal, Sean Langridge, and Bethanie J. H. Stadler

Phys. Rev. Materials 8, 044403 (2024) - Published 5 April, 2024

THz and sub-THz antiferromagnetic magnons via magnetoacoustic resonances excited by picosecond strain pulses in NiO

Andrei V. Azovtsev and Nikolay A. Pertsev

Phys. Rev. Materials 8, 044404 (2024) - Published 9 April, 2024

Simultaneous achievement of energy-efficient operation and high thermal stability of magnetic devices by enhancement of Dzyaloshinskii-Moriya interaction and magnetic anisotropy energy

Yong-Keun Park, Minhwan Kim, Joo-Sung Kim, Yune-Seok Nam, Ji-Sung Yu, Jung-Hyun Park, Jaesung Yoon, Duck-Ho Kim, Sug-Bong Choe, and Byoung-Chul Min

Phys. Rev. Materials 8, 044405 (2024) - Published 16 April, 2024

Substituent effects on exchange anisotropy in single- and multiorbital organic radical magnets

Jonathan Marbey, Aaron Mailman, Richard T. Oakley, Stephen Hill, and Stephen M. Winter

Phys. Rev. Materials 8, 044406 (2024) - Published 19 April, 2024

Strongly pinned skyrmionic bubbles and higher-order nonlinear Hall resistances at the interface of Pt/FeSi bilayer

T. Hori, N. Kanazawa, K. Matsuura, H. Ishizuka, K. Fujiwara, A. Tsukazaki, M. Ichikawa, M. Kawasaki, F. Kagawa, M. Hirayama, and Y. Tokura

Phys. Rev. Materials 8, 044407 (2024) - Published 23 April, 2024

Tuning the spontaneous exchange bias effect in La1.5Sr0.5CoMnO6 with sintering temperature

C. Macchiutti, J. R. Jesus, F. B. Carneiro, L. Bufaiçal, R. A. Klein, Q. Zhang, M. Kirkham, C. M. Brown, R. D. dos Reis, G. Perez, and E. M. Bittar

Phys. Rev. Materials 8, 044408 (2024) - Published 24 April, 2024

Structural, magnetic, and magnetocaloric properties of triangular-lattice transition-metal phosphates

Chuandi Zhang, Junsen Xiang, Quanliang Zhu, Longfei Wu, Shanfeng Zhang, Juping Xu, Wen Yin, Peijie Sun, Wei Li, Gang Su, and Wentao Jin

Phys. Rev. Materials 8, 044409 (2024) - Published 26 April, 2024

Semiconducting materials

Origin and quantification of the ultimate carrier concentration limits in In2O3 and Sn-doped In2O3

Andreas Klein, Alexander Frebel, Kim Alexander Creutz, and Binxiang Huang

Phys. Rev. Materials 8, 044601 (2024) - Published 1 April, 2024

Chemical trend of radiative recombination in III-nitrides

Zheng Liu, Si-Yuan Xu, Su-Huai Wei, and Xie Zhang

Phys. Rev. Materials 8, 044602 (2024) - Published 10 April, 2024

Resonant transition metal Ti or Ta doping in high mobility transparent conducting CdO: The effects of doping concentration

Chao Ping Liu, Shan Wu, Yang Zhang, Shen Jie Zha, Gui Shan Liu, Xiong Jing Chen, Bei Deng, Chun Yuen Ho, and Kin Man Yu

Phys. Rev. Materials 8, 044603 (2024) - Published 22 April, 2024

Tiny Fermi surface with an extremely light mass of ternary chalcopyrite CdSnAs2 revealed by angle-resolved photoemission spectroscopy

Daiki Ootsuki, Hiroshi Takatsu, Kohei Funada, Tatsuhiro Ishida, Masashi Arita, Shinichiro Ideta, Kiyohisa Tanaka, Hiroshi Kageyama, and Teppei Yoshida

Phys. Rev. Materials 8, 044604 (2024) - Published 25 April, 2024

Superconducting materials

Structural routes to stabilize superconducting La3Ni2O7 at ambient pressure

Luke C. Rhodes and Peter Wahl

Phys. Rev. Materials 8, 044801 (2024) - Published 9 April, 2024

Annealing-induced evolution of boron-doped polycrystalline diamond

Gufei Zhang, Ramiz Zulkharnay, Fabian Ganss, Yujie Guo, Mohammed Alkhalifah, Limin Yang, Sen Zhang, Shengqiang Zhou, Peng Li, Yejun Li, Victor V. Moshchalkov, Jiaqi Zhu, and Paul W. May

Phys. Rev. Materials 8, 044802 (2024) - Published 12 April, 2024

Engineering underdoped CuO2 nanoribbons in nm-thick a-axis YBa2Cu3O7−δ films

Riccardo Arpaia, Núria Alcalde-Herraiz, Andrea D'Alessio, Evgeny Stepantsov, Eric Wahlberg, Alexei Kalaboukhov, Thilo Bauch, and Floriana Lombardi

Phys. Rev. Materials 8, 044803 (2024) - Published 25 April, 2024

Metamaterials, optical, photonic, and plasmonic materials

Memory effect in photochromic rare-earth oxyhydride thin films studied by in situ positron annihilation spectroscopy upon photodarkening-bleaching cycling

Ziying Wu, Lidwin de Wit, Melanie Beek, Giorgio Colombi, Diana Chaykina, Herman Schreuders, Henk Schut, Maciej Oskar Liedke, Maik Butterling, Andreas Wagner, Marcel Dickmann, Ekkes Brück, Bernard Dam, and Stephan W. H. Eijt

Phys. Rev. Materials 8, 045201 (2024) - Published 15 April, 2024

Soft, molecular, and amorphous materials

Bidisperse ring polymers: Topological glass to stacking

Projesh Kumar Roy, Pinaki Chaudhuri, and Satyavani Vemparala

Phys. Rev. Materials 8, 045601 (2024) - Published 5 April, 2024

Pyroresistive response of percolating conductive polymer composites

Ettore Barbieri, Emiliano Bilotti, Yi Liu, and Claudio Grimaldi

Phys. Rev. Materials 8, 045602 (2024) - Published 9 April, 2024

Computational studies of the order-disorder transition in block copolymer topological blends

Rahul Kumar, Amy D. Goodson, Haroon Alli, Clayton Chamness, Isabella L. Miserocchi, Henry S. Ashbaugh, and Julie N. L. Albert

Phys. Rev. Materials 8, 045603 (2024) - Published 10 April, 2024

Self-assembly of blends consisting of linear and cyclic block copolymers is a potential route to obtain nanostructures needed for soft nanolithography. Blending offers an attractive strategy to modulate the feature size of the ordered morphology by controlling the relative fraction of blend components of dissimilar molecular weights. At the same time, knowledge of the blend order-disorder transition (ODT) is essential to ensure self-assembly. This study shows that polymer size and topology mismatch affect the blend ODT. Specifically, clustering of blend components in the disordered phase near the transition is an important feature of the ODT and can be used to explain why topological blends exhibit ODTs at higher segregation strengths than one might expect based on the ODTs of individual components.

Stable and unstable tiling patterns formed by ABC miktoarm star triblock terpolymers of symmetric interactions

Cody Hawthorne, Juntong He, and Qiang Wang

Phys. Rev. Materials 8, 045604 (2024) - Published 11 April, 2024

ABC miktoarm triblock terpolymer melts (or simply stars) are unique due to their tendency to self-assemble into nanostructures rarely found in other block copolymer systems, such as the various tiling patterns. Several discrepancies, however, exist among previous self-consistent field (SCF) calculations of symmetrically interacting stars, where the repulsion between different types of segments is the same. These are resolved with the authors’ high-accuracy SCF calculations that include all known tiling patterns, as well as several lamellar-type phases known to bound the regions occupied by the tiling patterns in the parameter space of block volume fractions fP (P=A,B,C). Both the (3.4.6.4) tiling pattern and the 3D phase of hierarchical-hexagonal lamellae (HHL) are found to be stable for the first time, and their stability mechanisms including the important (32.4.3.4) tiling pattern are revealed.

Morphology of nanoporous glass: Stochastic 3D modeling, stereology and the influence of pore width

Matthias Neumann, Phillip Gräfensteiner, Cristine Santos de Oliveira, Juliana Martins de Souza e Silva, Sharon Koppka, Dirk Enke, Patrick Huber, and Volker Schmidt

Phys. Rev. Materials 8, 045605 (2024) - Published 25 April, 2024

Materials for catalysis and electrochemistry

Micromechanical measurements of local plastic events in granular materials

Jie Zheng, Aile Sun, and Jie Zhang

Phys. Rev. Materials 8, 045801 (2024) - Published 9 April, 2024

Nanomaterials

Structural and thermodynamic characterization of CuZr metallic glass nanoparticles: Insights from atomistic simulations

Xuezhen Ren, Suyue Yuan, Emily J. Gurniak, and Paulo S. Branicio

Phys. Rev. Materials 8, 046001 (2024) - Published 10 April, 2024

Materials for Quantum Technologies

Charge state and entropic effects affecting the formation and dynamics of divacancies in 3C-SiC

Cunzhi Zhang, Francois Gygi, and Giulia Galli

Phys. Rev. Materials 8, 046201 (2024) - Published 5 April, 2024

Influence of pinholes and weak-points in aluminum-oxide Josephson junctions

K. Bayros, M. J. Cyster, J. S. Smith, and J. H. Cole

Phys. Rev. Materials 8, 046202 (2024) - Published 10 April, 2024

EDITORS' SUGGESTION

Ultrashallow heavily constrained quantum wells: The cradle for fully electrically controlled and microwave coupled quantum bits

Yiwen Zhang, Zonghu Li, Yuchen Zhou, Yuhui Ren, Jiahan Ke, Jiale Su, Yanpeng Song, Jun Deng, Yang Liu, Runze Zhang, Haiou Li, Baochuan Wang, Zhenhua Wu, Jun Luo, Zhenzhen Kong, Gang Cao, Guoping Guo, Chao Zhao, and Guilei Wang

Phys. Rev. Materials 8, 046203 (2024) - Published 25 April, 2024

The study focuses on the systematic growth and characterization of material properties, as well as the low-temperature transport properties, of ultrashallow heavily strained quantum wells. A new characterization method, called Density of Stress Accumulation Points, has been introduced for assessing quantum well strain. An ultrashallow heavily constrained quantum well with a remarkable mobility of 3.382×105 cm2/Vs was successfully achieved. This achievement serves as the foundation for the development of fully electrically controlled and microwave cavity-coupled quantum dot materials.

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