Volume 8, Issue 11

November 2024

Browse Issues:

HIGHLIGHTED ARTICLES

FEATURED IN PHYSICS

Threshold displacement energies in refractory high-entropy alloys

J. Byggmästar, F. Djurabekova, and K. Nordlund

Phys. Rev. Materials 8, 115406 (2024) - Published 21 November, 2024

Atomic simulations deepen the mystery of how engineered materials known as refractory high-entropy alloys can suffer so little damage by radiation.

EDITORS' SUGGESTION

Migration and clustering of early-stage irradiation damage in vanadium

Anna Liski, Eryang Lu, Ilja Makkonen, Zhehao Chen, Kenichiro Mizohata, and Filip Tuomisto

Phys. Rev. Materials 8, 113602 (2024) - Published 15 November, 2024

The early stages of irradiation damage are characterized by the formation of monovacancy defects and self-interstitial atoms (SIAs). With increasing damage levels, these point defects migrate and eventually cluster to form larger structures such as voids or dislocation loops. Temperature-activated migration of these elementary point defects controls the self-healing processes. In this work, the authors use positron annihilation spectroscopy to monitor the defect evolution in vanadium from 35 K until the full recovery of the irradiation-induced defects at 500 K. They identify recovery stages each related to the migration of a separate defect species: SIAs, mono-vacancies, vacancy clusters, and multivacancy-hydrogen complexes.

EDITORS' SUGGESTION

Defect energy formalism for CALPHAD thermodynamics of dilute point defects: Theory

Amir M. Orvati Movaffagh, Adetoye Adekoya, and Sara Kadkhodaei

Phys. Rev. Materials 8, 113802 (2024) - Published 8 November, 2024

Defects in semiconducting compounds regulate charge carrier density and, consequently, the electrical properties, directly impacting the performance of electronic devices such as thermoelectrics, transistors, and solar cells. While traditionally, the Gibbs energy for defective compounds has been developed empirically, this study introduces a theoretical framework that directly connects defect energetics at electronic and atomic levels to a universally parameterized Gibbs energy function in the dilute range. This universal parameterization enables a consistent description of Gibbs energy across varying coexistence conditions, accommodating different chemical potentials and Fermi levels. This formalism for defect energy represents a significant advancement in the first-principles parameterization of the thermodynamics of defective compounds.

EDITORS' SUGGESTION

Anomalous proximitized transport in metal/quantum magnet heterostructure ${Bi}_{2} {Ir}_{2} O_{7} / {Yb}_{2} {Ti}_{2} O_{7}$

Chengkun Xing, Shu Zhang, Weiliang Yao, Dapeng Cui, Qing Huang, Junyi Yang, Shashi Pandey, Dongliang Gong, Lukas Horák, Yan Xin, Eun Sang Choi, Yang Zhang, Haidong Zhou, and Jian Liu

Phys. Rev. Materials 8, 114407 (2024) - Published 5 November, 2024

Quantum mechanics permits entanglement and state-tunneling of spins, enabling magnetic materials to rapidly alter configurations without energy expenditure. However, strong quantum spin fluctuations typically arise in nonconductive frustrated magnets, limiting their technological application. The authors demonstrate that an epitaxial conductive film grown on an insulating magnetic substrate exhibits resistance behaviors reflective of the substrate’s quantum spin fluctuations. This correlation is evident across various temperatures and magnetic fields, showcasing excellent controls. Their findings suggest a novel proximitized transport approach to mediating electronic behaviors by quantum spin fluctuations and harnessing insulating quantum magnets for advanced spin electronics.

EDITORS' SUGGESTION

Atomistic modeling of bulk and grain boundary diffusion in solid electrolyte ${Li}_{6} {PS}_{5} Cl$ using machine-learning interatomic potentials

Yongliang Ou, Yuji Ikeda, Lena Scholz, Sergiy Divinski, Felix Fritzen, and Blazej Grabowski

Phys. Rev. Materials 8, 115407 (2024) - Published 21 November, 2024

Harnessing the potential of solid-state electrolytes is crucial for advancing all-solid-state lithium-ion batteries, yet the role of grain boundaries (GBs) in ionic conductivity remains poorly understood. The authors present an active learning approach to develop machine-learning interatomic potentials with high accuracy, enabling large-scale, long-term simulations of complex GBs in polycrystalline Li $_{6}$ PS $_{5}$ Cl. Intercage diffusion of Li ions near GBs, triggered by the “cage-opening effect” of GBs, is notably observed. These findings offer key insights into optimizing ionic transport in solid electrolytes, paving the way for improved performance in next-generation battery technologies.

EDITORS' SUGGESTION

Emergence of mixing-induced polymorphic phase with higher mobility in alkylated layered organic semiconductors

Kiyoshi Nikaido, Satoru Inoue, Seiji Tsuzuki, Reiji Kumai, Hiroyuki Matsui, Kiyofumi Takaba, Saori Maki-Yonekura, Koji Yonekura, and Tatsuo Hasegawa

Phys. Rev. Materials 8, 115601 (2024) - Published 1 November, 2024

The fabrication of functional layers with desired molecular ordering is a fundamental challenge in organic electronic materials. In this study, the authors demonstrate that the layered crystalline order of alkylated organic semiconductors can be precisely controlled by mixing molecules with varying alkyl chain lengths, resulting in a nearly tenfold enhancement in hole mobility compared to the parent materials. Advanced structural analysis using electron diffraction reveals that the crystal structure of the mixing-induced phase is stabilized by alkyl chain interdigitation between molecular layers. This discovery presents a novel approach to structural control that does not rely solely on the development of new organic semiconductor molecules.

EDITORS' SUGGESTION

Size-dependent fracture in elastomers: Experiments and continuum modeling

Jaehee Lee, Jeongun Lee, Seounghee Yun, Sanha Kim, Howon Lee, Shawn A. Chester, and Hansohl Cho

Phys. Rev. Materials 8, 115602 (2024) - Published 5 November, 2024

Highly stretchable elastomeric materials often exhibit size-dependent, nonlocal features in damage and fracture processes. This study investigates the nonlocal fracture behavior in a broad variety of elastomers which display moderate to extreme stretchability by means of experiments and numerical simulations. The authors highlight that the experimentally observed size-dependent fracture is accurately described by a nonlocal continuum model that makes use of an intrinsic length scale associated with a finite fracture process zone in diverse synthetic elastomers.

LETTERS

Two-dimensional materials

LETTER

Substrate-modulated Kondo singlet states in monolayer $FeTe / {SrTiO}_{3} (001) − (\sqrt{13} \times \sqrt{13})$

Wen Si (司文), Bin Yu (于滨), Satoru Ichinokura (一ノ倉聖), and Toru Hirahara (平原徹)

Phys. Rev. Materials 8, L111001 (2024) - Published 20 November, 2024

LETTER

Two-dimensional nitride ordered alloys: A class of ultrawide bandgap semiconductors

Raagya Arora, Ariel R. Barr, Daniel Bennett, Daniel T. Larson, Michele Pizzochero, and Efthimios Kaxiras

Phys. Rev. Materials 8, L111002 (2024) - Published 27 November, 2024

Semiconducting materials

LETTER

Room-temperature persistent photoconductivity of $KTa O_{3}$

Macarena M. Santillan, Intuon Chatratin, Anderson Janotti, and Matthew D. McCluskey

Phys. Rev. Materials 8, L111601 (2024) - Published 13 November, 2024

Superconducting materials

LETTER

Assessing spin-density wave formation in ${La}_{3} {Ni}_{2} O_{7}$ from electronic structure calculations

Harrison LaBollita, Victor Pardo, Michael R. Norman, and Antia S. Botana

Phys. Rev. Materials 8, L111801 (2024) - Published 20 November, 2024

Materials with strongly interacting electrons can exhibit remarkable behaviors, such as stripe ordering, where charge and spin form periodic patterns. These states often precede unconventional superconductivity, as in the bilayer nickelate La $_{3}$ Ni $_{2}$ O $_{7}$ under pressure. Using correlated density-functional methods, the authors interrogate possible magnetic ground states of La $_{3}$ Ni $_{2}$ O $_{7}$ . The stripe-ordered ground state reproduces several experimental features, including insulating behavior at ambient pressure and strong antiferromagnetic coupling within the Ni- $d_{z^{2}}$ orbitals. Moreover, they find that the Ni- $d_{x^{2} - y^{2}}$ orbitals play a dominant role at low-energy. Overall, their findings provide fresh insights into the stripe ordering and its potential link to superconductivity in this fascinating material.

ARTICLES

Structural and mechanical properties

Structure and coherency of bcc Nb precipitates in hcp Zr matrix from atomistic simulations

Zhengxuan Fan, Émile Maras, Maeva Cottura, Mihai-Cosmin Marinica, and Emmanuel Clouet

Phys. Rev. Materials 8, 113601 (2024) - Published 7 November, 2024

EDITORS' SUGGESTION

Migration and clustering of early-stage irradiation damage in vanadium

Anna Liski, Eryang Lu, Ilja Makkonen, Zhehao Chen, Kenichiro Mizohata, and Filip Tuomisto

Phys. Rev. Materials 8, 113602 (2024) - Published 15 November, 2024

Stability of trivalent and hexavalent chromium oxide layers on aluminum substrates from electronic structure calculations

Peng Geng, Shu Huang, and Jaime Marian

Phys. Rev. Materials 8, 113603 (2024) - Published 15 November, 2024

Stability of c-BAs under extreme conditions: An ab initio molecular dynamics study

Mengqi Cheng and Hong Sun

Phys. Rev. Materials 8, 113604 (2024) - Published 18 November, 2024

Assessing grain boundary variability through phase field crystal simulations

Håkan Hallberg and Kevin Hult Blixt

Phys. Rev. Materials 8, 113605 (2024) - Published 25 November, 2024

Development of new methods for materials

Mathematical crystal chemistry: A mathematical programming approach to crystal structures of inorganic compounds

Ryotaro Koshoji and Taisuke Ozaki

Phys. Rev. Materials 8, 113801 (2024) - Published 6 November, 2024

EDITORS' SUGGESTION

Defect energy formalism for CALPHAD thermodynamics of dilute point defects: Theory

Amir M. Orvati Movaffagh, Adetoye Adekoya, and Sara Kadkhodaei

Phys. Rev. Materials 8, 113802 (2024) - Published 8 November, 2024

Evaluating and improving the predictive accuracy of mixing enthalpies and volumes in disordered alloys from universal pretrained machine learning potentials

Luis Casillas-Trujillo, Abhijith S. Parackal, Rickard Armiento, and Björn Alling

Phys. Rev. Materials 8, 113803 (2024) - Published 12 November, 2024

Machine learning potential for the Cu-W system

Manura Liyanage, Vladyslav Turlo, and W. A. Curtin

Phys. Rev. Materials 8, 113804 (2024) - Published 15 November, 2024

Disentangling competing driving forces in disordered crystalline materials using a mean-field approach

Ella M. Schmidt and Arkadiy Simonov

Phys. Rev. Materials 8, 113805 (2024) - Published 22 November, 2024

Avalanche dynamics and the effect of straining in dislocation systems with quenched disorder

Dénes Berta, Barna Mendei, and Péter Dusán Ispánovity

Phys. Rev. Materials 8, 113806 (2024) - Published 22 November, 2024

Exciton dissociation mechanism and exciton density in organic semiconductors by modulated-photocurrent spectroscopy

P. Kounavis and I. Symeonidis

Phys. Rev. Materials 8, 113807 (2024) - Published 25 November, 2024

Two-dimensional materials

Two-dimensional $2 γ − {In}_{2} {Se}_{3}$ in bilayer-like coloring triangle lattice: Mechanical, electronic, transport, and photocatalytic properties

Taylan Gorkan, Dogukan Hazar Ozbey, Mehmet Emin Kilic, and Engin Durgun

Phys. Rev. Materials 8, 114001 (2024) - Published 4 November, 2024

Predicting magnetic properties of van der Waals magnets using graph neural networks

Peter Minch, Romakanta Bhattarai, Kamal Choudhary, and Trevor David Rhone

Phys. Rev. Materials 8, 114002 (2024) - Published 4 November, 2024

Atomistic simulations of low energy ion irradiation of 2D materials: From ab-initio molecular dynamics to simple binary collision model

Silvan Kretschmer and Arkady V. Krasheninnikov

Phys. Rev. Materials 8, 114003 (2024) - Published 20 November, 2024

Interplay of hydrogen boride sheets with water: An insight into edge stability

Kurt Irvin M. Rojas, Yoshitada Morikawa, and Ikutaro Hamada

Phys. Rev. Materials 8, 114004 (2024) - Published 27 November, 2024

Magnetic, ferroelectric, and multiferroic materials

Strain-tunable magnetic and magnonic states in Ni-dihalide monolayers

Ali Ghojavand, Maarten Soenen, Nafise Rezaei, Mojtaba Alaei, Cem Sevik, and Milorad V. Milošević

Phys. Rev. Materials 8, 114401 (2024) - Published 1 November, 2024

${LuCu}_{3} {(OH)}_{6} {Br}_{2} [{Br}_{x} {(OH)}_{1 - x}] (x = 0.45) :$ A possible quantum spin liquid candidate with Cu-Kagome lattice

Donger Cheng, Xiaoyu Yue, Wenjing Zhang, Yi-Yan Wang, Hui Liang, Zhongwen Ouyang, and Xuefeng Sun

Phys. Rev. Materials 8, 114402 (2024) - Published 4 November, 2024

Anisotropy in magnetoelastic effects of ${YCo}_{5}$

Jun-ichiro Inoue and Hiroki Tsuchiura

Phys. Rev. Materials 8, 114403 (2024) - Published 4 November, 2024

Role of material-dependent properties in THz field-derivative-torque-induced nonlinear magnetization dynamics

Arpita Dutta, Pratyay Mukherjee, Swosti P. Sarangi, Somasree Bhattacharjee, Shovon Pal, and Ritwik Mondal

Phys. Rev. Materials 8, 114404 (2024) - Published 4 November, 2024

Structure-driven prediction of magnetic order in uranium compounds

Christopher Broyles, William Charles, and Sheng Ran

Phys. Rev. Materials 8, 114405 (2024) - Published 4 November, 2024

Unusual magnetization and field switching effects in multifunctional Ba, Ni-doped ${YCrO}_{3}$ polycrystalline samples

Souvick Das, Ayan Mitra, Sukhendu Sadhukhan, Manas Mondal, Amit Kumar, and Pabitra Kumar Chakrabarti

Phys. Rev. Materials 8, 114406 (2024) - Published 5 November, 2024

EDITORS' SUGGESTION

Anomalous proximitized transport in metal/quantum magnet heterostructure ${Bi}_{2} {Ir}_{2} O_{7} / {Yb}_{2} {Ti}_{2} O_{7}$

Chengkun Xing, Shu Zhang, Weiliang Yao, Dapeng Cui, Qing Huang, Junyi Yang, Shashi Pandey, Dongliang Gong, Lukas Horák, Yan Xin, Eun Sang Choi, Yang Zhang, Haidong Zhou, and Jian Liu

Phys. Rev. Materials 8, 114407 (2024) - Published 5 November, 2024

Negative spin polarization and effect of composition on the atomic order and electronic structure of ${Mn}_{2} VAl$ Heusler alloy thin films

Hirofumi Suto, Vineet Barwal, Keisuke Masuda, Kodchakorn Simalaotao, Taisuke Sasaki, Yoshio Miura, Hiroo Tajiri, Loku Singgappulige Rosantha Kumara, Tomoyuki Koganezawa, and Yuya Sakuraba

Phys. Rev. Materials 8, 114408 (2024) - Published 12 November, 2024

Unusual strong ferromagnetism in site-ordered cubic Laves phase compound ${LuInCo}_{4}$ with Co-pyrochlore lattice

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

Phys. Rev. Materials 8, 114409 (2024) - Published 13 November, 2024

Influence of interface morphology on the magnetic damping of Al-sandwiched Permalloy thin films

Verena Ney, Kilian Lenz, Fabian Ganss, René Hübner, Jürgen Lindner, and Andreas Ney

Phys. Rev. Materials 8, 114410 (2024) - Published 13 November, 2024

Weak first-order phase transition, exchange bias effect, and $T − H$ phase diagram of ${Mn}_{0.75} {Fe}_{0.25} NiGe$

Rajasekhar Boya, Venkateswara Yenugonda, E. Purushotham, Jacob Casey, Santhosh Kumar Adpa, M. Chandra Sekhar, G. Nataraju, S. Shanmukharao Samatham, and Arjun K. Pathak

Phys. Rev. Materials 8, 114411 (2024) - Published 13 November, 2024

Anisotropic magnetism of polymorphic ${ErAl}_{3}$

Karolina Gornicka, Brenden R. Ortiz, Andrew D. Christianson, and Andrew F. May

Phys. Rev. Materials 8, 114412 (2024) - Published 13 November, 2024

Magnetic properties of $R_{2} O_{2} {CO}_{3}$ ( $R$ = Pr, Nd, Gd, Tb, Dy, Ho, Er, Yb) with a rare earth-bilayer of triangular lattice

Aya Rutherford, Chengkun Xing, Haidong Zhou, Qing Huang, Eun Sang Choi, and Stuart Calder

Phys. Rev. Materials 8, 114413 (2024) - Published 14 November, 2024

Study of spin-phonon coupling and site-disorder in polycrystalline ${YBaCuFeO}_{5}$

Saurabh Gupta, Ganesh Bera, Meenal Dhanetwal, Deepak Prajapat, Roxana Mirshahi, Anuj Upadhyay, Archna Sagdeo, V. G. Sathe, Carlo Meneghini, and V. Raghavendra Reddy

Phys. Rev. Materials 8, 114414 (2024) - Published 15 November, 2024

Evolution of defects and local environment during the magnetostructural phase transformation in $F e_{60} V_{40}$ thin films

Simon Rauls, Md. Shadab Anwar, Maciej Oskar Liedke, Maik Butterling, Benedikt Eggert, Edmund Welter, Damian Günzing, Philipp Klaßen, Alexander Herman, Olav Hellwig, Jürgen Fassbender, Jürgen Lindner, Andreas Wagner, Kay Potzger, Rantej Bali, and Heiko Wende

Phys. Rev. Materials 8, 114415 (2024) - Published 18 November, 2024

Nonlocal spin transport in the light intermetallic alloy ${Al}_{2} Cu$

Justin Ramberger, Ben Kaiser, Paromita Dutta, Mikaela Norum, Turan Birol, and Chris Leighton

Phys. Rev. Materials 8, 114416 (2024) - Published 18 November, 2024

Predicting the Curie temperature of magnetic materials with automated calculations across chemistries and structures

Marian Arale Brännvall, Gabriel Persson, Luis Casillas-Trujillo, Rickard Armiento, and Björn Alling

Phys. Rev. Materials 8, 114417 (2024) - Published 19 November, 2024

Influence of Ga doping on magnetic properties, magnetocaloric effect, and electronic structure of pseudobinary ${GdZn}_{1 - x} {Ga}_{x}$ ( $x = 0 − 0.1$ )

Anis Biswas, Ajay Kumar, Prashant Singh, Tyler Del Rose, Rajiv K. Chouhan, B. C. Margato, B. P. Alho, E. P. Nóbrega, P. J. von Ranke, P. O. Ribeiro, V. S. R. de Sousa, and Yaroslav Mudryk

Phys. Rev. Materials 8, 114418 (2024) - Published 21 November, 2024

Tuning of perpendicular magnetic anisotropy in Bi-substituted yttrium iron garnet films by ${He}^{+}$ ion irradiation

Sreeveni Das, Rhodri Mansell, Lukáš Flajšman, Lide Yao, Johannes W. van der Jagt, Song Chen, Dafiné Ravelosona, Liza Herrera Diez, and Sebastiaan van Dijken

Phys. Rev. Materials 8, 114419 (2024) - Published 25 November, 2024

Reexamination of the electronic phase diagram of doped $Ni S_{2}$ : Electronic, magnetic, and structural inhomogeneity across the Mott insulator-metal transition

Yu Tao, Bhaskar Das, Stuart Calder, Ezra Day-Roberts, Moumita Maiti, Yeon Lee, Caitlyn Komar, Turan Birol, and Chris Leighton

Phys. Rev. Materials 8, 114420 (2024) - Published 25 November, 2024

Unusual magnetic and transport properties in the Zintl phase ${Eu}_{11} {Zn}_{6} {As}_{12}$

Zhiyu Zhou, Ziwen Wang, Xiyu Chen, Jia-Yi Lu, Junchao Zhang, Xiong Luo, Guang-Han Cao, Shuai Dong, and Zhi-Cheng Wang

Phys. Rev. Materials 8, 114421 (2024) - Published 25 November, 2024

Interplay between crystal structure, magnetic and electrotransport properties in anion-deficient ${La}_{1 - x} {Sr}_{x} {Co}_{1 - y} {Ni}_{y} O_{3 - γ}$ perovskites

Roman Lanovsky, Maxim Bushinsky, Nina Tereshko, Stanislav Savvin, Vadim Efimov, Vadim Sikolenko, Olga Mantytskaya, and Aliaksandr Nikitin

Phys. Rev. Materials 8, 114422 (2024) - Published 25 November, 2024

Hydroflux-controlled growth of magnetic K-Cu-Te-O(H) phases

Allana G. Iwanicki, Brandon Wilfong, Eli Zoghlin, Wyatt Bunstine, Maxime A. Siegler, and Tyrel M. McQueen

Phys. Rev. Materials 8, 114423 (2024) - Published 26 November, 2024

Assessing the $K_{2} B O_{3}$ family of materials as multiferroics

Anthony A. Casale and Joseph W. Bennett

Phys. Rev. Materials 8, 114424 (2024) - Published 26 November, 2024

Electron-phonon coupling in ferromagnetic Fe-Co alloys from first principles

Kevin Moseni, Richard B. Wilson, and Sinisa Coh

Phys. Rev. Materials 8, 114425 (2024) - Published 27 November, 2024

Semiconducting materials

Acceptor and donor impurity levels in hexagonal-diamond silicon

Marc Túnica, Alberto Zobelli, and Michele Amato

Phys. Rev. Materials 8, 114601 (2024) - Published 15 November, 2024

Superconducting materials

First-principles design of ambient-pressure ${Mg}_{x} B_{2} C_{2}$ and ${Na}_{x} BC$ superconductors

Charlsey R. Tomassetti, Daviti Gochitashvili, Christopher Renskers, Elena R. Margine, and Aleksey N. Kolmogorov

Phys. Rev. Materials 8, 114801 (2024) - Published 14 November, 2024

Cocktail effect on superconductivity in hexagonal high-entropy alloys

Bin Liu, Wuzhang Yang, Guang-Han Cao, and Zhi Ren

Phys. Rev. Materials 8, 114802 (2024) - Published 18 November, 2024

Metamaterials, optical, photonic, and plasmonic materials

Circular dichroism of distorted double gyroid thin film metamaterials

Emily K. McGuinness, Benjamin R. Magruder, Kevin D. Dorfman, Christopher J. Ellison, and Vivian E. Ferry

Phys. Rev. Materials 8, 115201 (2024) - Published 20 November, 2024

Materials for energy harvesting, storage, and generation

Density functional theory calculations of surface thermochemistry in Al/CuO thermite reaction

Hicham Jabraoui, Mehdi Djafari-Rouhani, Carole Rossi, and Alain Esteve

Phys. Rev. Materials 8, 115401 (2024) - Published 8 November, 2024

First-principles assessment of defect-assisted nonradiative recombination with multiple charge-state transitions in GeSe

Xin-Ru Tang, Su-Huai Wei, and Xie Zhang

Phys. Rev. Materials 8, 115402 (2024) - Published 12 November, 2024

Layer-by-layer degradation method for profiling ${MAPbI}_{3}$ thin films by a fast photo-oxidative process using high-energy UV irradiation

J. Caram, M. Senno, V. A. Gómez Andrade, M. D. Perez, S. Tinte, and R. Urteaga

Phys. Rev. Materials 8, 115403 (2024) - Published 14 November, 2024

Superionic transition in uranium dioxide: Insights from molecular dynamics and lattice dynamics simulations

Paul C. M. Fossati, Patrick A. Burr, Michael W. D. Cooper, Conor O. T. Galvin, and Robin W. Grimes

Phys. Rev. Materials 8, 115404 (2024) - Published 19 November, 2024

FEATURED IN PHYSICS

Threshold displacement energies in refractory high-entropy alloys

J. Byggmästar, F. Djurabekova, and K. Nordlund

Phys. Rev. Materials 8, 115406 (2024) - Published 21 November, 2024

Atomic simulations deepen the mystery of how engineered materials known as refractory high-entropy alloys can suffer so little damage by radiation.

EDITORS' SUGGESTION

Atomistic modeling of bulk and grain boundary diffusion in solid electrolyte ${Li}_{6} {PS}_{5} Cl$ using machine-learning interatomic potentials

Yongliang Ou, Yuji Ikeda, Lena Scholz, Sergiy Divinski, Felix Fritzen, and Blazej Grabowski

Phys. Rev. Materials 8, 115407 (2024) - Published 21 November, 2024

Machine-learning-enhanced symbolic regression for methane storage prediction in covalent organic frameworks

Alauddin Ahmed

Phys. Rev. Materials 8, 115408 (2024) - Published 21 November, 2024

Soft, molecular, and amorphous materials

EDITORS' SUGGESTION

Emergence of mixing-induced polymorphic phase with higher mobility in alkylated layered organic semiconductors

Kiyoshi Nikaido, Satoru Inoue, Seiji Tsuzuki, Reiji Kumai, Hiroyuki Matsui, Kiyofumi Takaba, Saori Maki-Yonekura, Koji Yonekura, and Tatsuo Hasegawa

Phys. Rev. Materials 8, 115601 (2024) - Published 1 November, 2024

EDITORS' SUGGESTION

Size-dependent fracture in elastomers: Experiments and continuum modeling

Jaehee Lee, Jeongun Lee, Seounghee Yun, Sanha Kim, Howon Lee, Shawn A. Chester, and Hansohl Cho

Phys. Rev. Materials 8, 115602 (2024) - Published 5 November, 2024

Polyvinyl fluoride: Predicting polarization in a complex soft matter system

Carl M. Frostenson, Pär A. T. Olsson, and Per Hyldgaard

Phys. Rev. Materials 8, 115603 (2024) - Published 5 November, 2024

Nanomaterials

Understanding the behavior of exchange bias and coercive fields and connections with anisotropic interfaces in ${Co}_{2} C$ nanoparticle system

Suprotim Saha, P. C. Mahato, Sugata Paul, and S. S. Banerjee

Phys. Rev. Materials 8, 116001 (2024) - Published 4 November, 2024

Errata

Retraction: Realization of chiral multifold semimetal RhSi crystalline thin films [Phys. Rev. Materials 7, 054201 (2023)]

Hua Lv, Edouard Lesne, Rebeca Ibarra, Yan Sun, Anastasios Markou, and Claudia Felser

Phys. Rev. Materials 8, 119901 (2024) - Published 21 November, 2024

Volume 8, Issue 11

HIGHLIGHTED ARTICLES

LETTERS

Two-dimensional materials

Semiconducting materials

Superconducting materials

ARTICLES

Structural and mechanical properties

Development of new methods for materials

Two-dimensional materials

Magnetic, ferroelectric, and multiferroic materials

Semiconducting materials

Superconducting materials

Metamaterials, optical, photonic, and plasmonic materials

Materials for energy harvesting, storage, and generation

Soft, molecular, and amorphous materials

Nanomaterials

Materials for Quantum Technologies

Errata