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Sampling vacancy configurations with large relaxations using Smart Darting Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-18 D. Tanguy
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Effect of Sn on stacking fault energies in zirconium and its hydrides Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-18 P. Chakraborty, I. Mouton, B. Gault, A. Tehranchi, J. Neugebauer, T. Hickel
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Equivariant graph neural network interatomic potential for Green-Kubo thermal conductivity in phase change materials Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-18 Sung-Ho Lee, Jing Li, Valerio Olevano, Benoit Sklénard
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Effect of point defects and lattice distortions on the structural, electronic, and magnetic properties ofCo2MnAlHeusler alloy Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-18 Amar Kumar, Sujeet Chaudhary, Sharat Chandra
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Exciton binding energy and the origin of yellow-light emission inCH3NH3PbBr3single crystals Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-18 I. V. Zhevstovskikh, N. S. Averkiev, M. N. Sarychev, O. I. Semenova, O. E. Tereshchenko
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Ab initiostudy of transition paths between (meta)stable phases of Nb and Ta-substituted Nb Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-15 Susanne Kunzmann, Thomas Hammerschmidt, Gabi Schierning, Anna Grünebohm
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Disordered ground state in a spin-orbit coupled pseudospin-12cobalt-based metal-organic framework magnet with orthogonal spin dimers Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-15 Sebin J. Sebastian, S. Mohanty, A. Nath, M. P. Saravanan, S. Mandal, A. A. Tsirlin, R. Nath
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Tunable Gilbert damping and magnetization in B-richFe1−xBxthin films Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-15 Mohammad M. Qaid, Camillo Ballani, Frank Syrowatka, Tobias Peters, Günter Reiss, Gregor Buettel, Uwe Hartmann, Georg Schmidt
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Structural transformations driven by local disorder at interfaces Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-14 Yanyan Liang, Grisell Díaz Leines, Ralf Drautz, Jutta Rogal
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Optical tuning of the diamond Fermi level measured by correlated scanning probe microscopy and quantum defect spectroscopy Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-14 Christian Pederson, Rajiv Giridharagopal, Fang Zhao, Scott T. Dunham, Yevgeny Raitses, David S. Ginger, Kai-Mei C. Fu
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Crystallographic map: A general lattice and basis formalism enabling efficient and discretized exploration of crystallographic phase space Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-13 David Mrdjenovich, Kristin A. Persson
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Crystal growth, transport, and magnetic properties of quasi-one-dimensionalLa3MnBi5 Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-13 Cuiwei Zhang, Yaxian Wang, Jiaxin Zheng, Liang Du, Yong Li, Xin Han, Enke Liu, Quansheng Wu, Youguo Shi
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Temperature-induced structural and electronic phase transitions inλ-phaseTi3O5 Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-13 K. Yoshimatsu, H. Nakao, H. Kumigashira
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Chemomechanics in alloy phase stability Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-12 Sesha Sai Behara, John C. Thomas, Brian Puchala, Anton Van der Ven
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Tunable metal-insulator transition in strainedV2O3thin films epitaxially grown on SiC substrates Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-08 G. D. Zhang, L. Hu, S. Wang, R. H. Wei, R. R. Zhang, W. H. Song, X. B. Zhu, Y. P. Sun
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Phonon softening and electron-phonon coupling in the topological nodal-line semimetal ZrGeSe Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-07 Weiyao Zhao, Enamul Haque, Lei Guo, David Cortie, Lei Chen, Bahadir Salmankurt, Xiaolin Wang, Ren-Kui Zheng, Nikhil V. Medhekar, Julie Karel, Kirrily C. Rule
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Modifying ring structures in lithium borate glasses under compression: MD simulations using a machine-learning potential Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-07 Shingo Urata, Aik Rui Tan, Rafael Gómez-Bombarelli
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Erratum: Prediction of strong topological insulator phase in kagome metalRV6Ge6[Phys. Rev. Materials7, 104204 (2023)] Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-07 Taosif Ahsan, Chia-Hsiu Hsu, Md. Shafayat Hossain, M. Zahid Hasan
DOI:https://doi.org/10.1103/PhysRevMaterials.8.039901
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Nanoscale electronic inhomogeneities in1T-TaS2 Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-06 B. Campbell, J. V. Riffle, A. de la Torre, Q. Wang, K. W. Plumb, S. M. Hollen
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Multiple localized-itinerant dualities in magnetism of5felectron systems: The case ofUPt2Si2 Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-06 L. M. Sandratskii, V. M. Silkin, L. Havela
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Metastable network phases from controlled self-assembly of high-χblock copolymers Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-06 Cheng-Yen Chang, Yun-Hao Chen, Rong-Ming Ho
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Searching for low thermal conductivity materials for thermal barrier coatings: A theoretical approach Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-06 Majid Zeraati, Artem R. Oganov, Tao Fan, Sergey F. Solodovnikov
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Low mechanical loss and high refractive index in amorphousTa2O5films grown by magnetron sputtering Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-06 M. Molina-Ruiz, K. Shukla, A. Ananyeva, G. Vajente, M. R. Abernathy, T. H. Metcalf, X. Liu, A. Markosyan, R. Bassiri, M. M. Fejer, M. Fazio, L. Yang, C. S. Menoni, F. Hellman
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Characterization of the low electric field and zero-temperature two-level-system loss in hydrogenated amorphous silicon Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-05 Fabien Defrance, Andrew D. Beyer, Shibo Shu, Jack Sayers, Sunil R. Golwala
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Impact of atomic reconstruction on optical spectra of twisted TMD homobilayers Phys. Rev. Materials (IF 3.4) Pub Date : 2024-03-04 Joakim Hagel, Samuel Brem, Johannes Abelardo Pineiro, Ermin Malic
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Lateral solid phase epitaxy of yttrium iron garnet Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-29 Sebastian Sailler, Darius Pohl, Heike Schlörb, Bernd Rellinghaus, Andy Thomas, Sebastian T. B. Goennenwein, Michaela Lammel
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Guiding diamond spin qubit growth with computational methods Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-28 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, David D. Awschalom
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Robust Zeeman-type band splitting in sliding ferroelectrics Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-28 Homayoun Jafari, Evgenii Barts, Przemysław Przybysz, Karma Tenzin, Paweł J. Kowalczyk, Paweł Dabrowski, Jagoda Sławińska
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Linear electro-optic effect in trigonalLiNbO3: A first-principles study Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-28 Inhwan Kim, Alexander A. Demkov
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Structural, optical, and electronic properties of single crystals of 4H lead-based hexagonal hybrid perovskite Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-28 Florent Pawula, Ali Fakih, Stanislav Péchev, Ramzy Daou, Daniele Mantione, Oleg Lebedev, Antoine Maignan, Georges Hadziioannou, Sylvie Hébert, Guillaume Fleury
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Detecting nitrogen-vacancy-hydrogen centers on the nanoscale using nitrogen-vacancy centers in diamond Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-28 Christoph Findler, Rémi Blinder, Karolina Schüle, Priyadharshini Balasubramanian, Christian Osterkamp, Fedor Jelezko
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X-ray absorption spectroscopy of oligothiophene crystals from many-body perturbation theory Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-27 Konstantin Lion, Caterina Cocchi, Claudia Draxl
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Effects of vacancy transport and surface adsorption on grain boundary migration in pure metals Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-27 Alexander F. Chadwick, Peter W. Voorhees
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Ca3Ru2O7: Interplay among degrees of freedom and the role of the exchange correlation Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-27 A. M León, J. W. González, H. Rosner
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Large-scale characterization ofCu2Omonocrystals via Rydberg excitons Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-27 Kerwan Morin, Delphine Lagarde, Angélique Gillet, Xavier Marie, Thomas Boulier
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Onset of uncontrolled polytypism during the Au-catalyzed growth of wurtzite GaAs nanowires Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-27 Wouter H. J. Peeters, Marco Vettori, Elham M. T. Fadaly, Alexandre Danescu, Chenyang Mao, Marcel A. Verheijen, Erik P. A. M. Bakkers
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Emergence of half-metallic ferromagnetism in transition metal substitutedNa0.5Bi0.5TiO3 Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-26 Chandan Kumar Vishwakarma, B. K. Mani
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Observation of van der Waals phonons in the single-layer cuprate(Bi,Pb)2(Sr,La)2CuO6+δ Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-26 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, P. Abbamonte
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Tuning of spin-orbit coupling in chiral molecule-incorporated two-dimensional organic-inorganic hybrid perovskite copper halides with ferromagnetic exchange interactions Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-23 Kouji Taniguchi, Po-Jung Huang, Hajime Sagayama, Ryoji Kiyanagi, Kazuki Ohishi, Shunsuke Kitou, Yuiga Nakamura, Hitoshi Miyasaka
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Heteroanionic stabilization ofNi1+with nonplanar coordination in layered nickelates Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-22 Jaye K. Harada, Nenian Charles, Nathan Z. Koocher, Yiran Wang, Kendall R. Kamp, Makayla R. Baxter, Kenneth R. Poeppelmeier, Danilo Puggioni, James M. Rondinelli
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Giant interfacial in-plane magnetic anisotropy in Co/Pt bilayers grown on MgO(110) substrates Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-21 Chao Zhou, Jia Xu, Yizheng Wu
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Classifying the age of a glass based on structural properties: A machine learning approach Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-21 Giulia Janzen, Casper Smit, Samantha Visbeek, Vincent E. Debets, Chengjie Luo, Cornelis Storm, Simone Ciarella, Liesbeth M. C. Janssen
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Competition of disorder and electron-phonon coupling in2H−TaSe2−xSx(0≤x≤2)as evidenced by Raman spectroscopy Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-21 J. Blagojević, S. Djurdjić Mijin, J. Bekaert, M. Opačić, Y. Liu, M. V. Milošević, C. Petrović, Z. V. Popović, N. Lazarević
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Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-21 Ruby A. Shi, Bai Yang Wang, Yusuke Iguchi, Motoki Osada, Kyuho Lee, Berit H. Goodge, Lena F. Kourkoutis, Harold Y. Hwang, Kathryn A. Moler
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Thermoelectric properties of SnSe andSnSe2single crystals Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-20 Abhinna Rajbanshi, Daniel Duong, Eklavya Thareja, Williams A. Shelton, Rongying Jin
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Superconductivity in compositionally complex cuprates with theYBa2Cu3O7−xstructure Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-20 Aditya Raghavan, Nathan D. Arndt, Nayelie Morales-Colón, Eli Wennen, Megan Wolfe, Carolina Oliveira Gandin, Kade Nelson, Robert Nowak, Sam Dillon, Keon Sahebkar, Ryan F. Need
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Current-induced magnetization switching in a magnetic topological insulator heterostructure Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-20 Erik Zimmermann, Justus Teller, Michael Schleenvoigt, Gerrit Behner, Peter Schüffelgen, Hans Lüth, Detlev Grützmacher, Thomas Schäpers
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Correlation between electronic polarization and shift current in cubic and hexagonal semiconductorsLiZnX(X=P,As,Sb) Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-15 Urmimala Dey, Jeroen van den Brink, Rajyavardhan Ray
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Atomistic simulations of nuclear fuelUO2with machine learning interatomic potentials Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-14 Eliott T. Dubois, Julien Tranchida, Johann Bouchet, Jean-Bernard Maillet
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Electronic structure of nitrogen-doped lutetium hydrides Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-16 Adam Denchfield, Hyowon Park, Russell J. Hemley
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Quantum oscillations in kagome metalsCsTi3Bi5andRbTi3Bi5 Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-14 Zackary Rehfuss, Christopher Broyles, David Graf, Yongkang Li, Hengxin Tan, Zhen Zhao, Jiali Liu, Yuhang Zhang, Xiaoli Dong, Haitao Yang, Hongjun Gao, Binghai Yan, Sheng Ran
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Insights intoε−Fe2O3interactions via Cr doping Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-16 Rachel Nickel, Chengjun Sun, Debora Motta Meira, Padraic Shafer, Johan van Lierop
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Electrified fracture of nanotube films Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-15 Jinbo Bian, Shijun Wang, Zhaokuan Yu, Zhong Zhang, Zhiping Xu
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Topological diffusive metal in amorphous transition metal monosilicides Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-14 Selma Franca, Adolfo G. Grushin
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Exploration of complex nanostructures in block copolymers Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-13 Hojun Lee, Jihoon Kim, Moon Jeong Park
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Relationship between molecular structure and corrugations in self-assembled polypeptoid nanosheets revealed by cryogenic electron microscopy Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-13 Xi Jiang, Ronald N. Zuckermann, Nitash P. Balsara
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Single crystal growth of FeRh from AuPb flux Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-13 Nikola Subotić, Miwako Takahashi, Takashi Mochiku, Yoshitaka Matsushita, Takanari Kashiwagi, Osamu Takeuchi, Hidemi Shigekawa, Kazuo Kadowaki
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Successive magnetic phase transitions with magnetoelastic and magnetodielectric coupling in the ordered triple perovskiteSr3CaRu2O9 Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-13 Arun Kumar, Pascal Manuel, Sunil Nair
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Mastering disorder in a first-order transition by ion irradiation Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-13 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, M. Trassinelli
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Nanoscale dynamics of hydrogen inVO2studied byμSR Phys. Rev. Materials (IF 3.4) Pub Date : 2024-02-13 H. Okabe, M. Hiraishi, A. Koda, Y. Matsushita, T. Ohsawa, N. Ohashi, R. Kadono