First-principles thermodynamics of : An analytical treatment of localized anharmonic modes
Hassan Y. Albuhairan, Marek Mihalkovič, and Michael Widom
Phys. Rev. B 112, 174101 (2025) - Published 3 November, 2025
Polarization-coupled magnetization switching in double perovskite oxides
Palanichamy Gayathri, Soheil Ershadrad, Sathiyamoorthy Buvaneswaran, Biplab Sanyal, and Saurabh Ghosh
Phys. Rev. B 112, 174102 (2025) - Published 3 November, 2025
Disentangling structural order and disorder in kagome
A. Korshunov, C. A. Fuller, C.-Y. Lim, A. Kar, S. Roychowdhury, D. Chernyshov, C. Shekhar, A. Bosak, C. Felser, and S. Blanco-Canosa
Phys. Rev. B 112, 174103 (2025) - Published 3 November, 2025
Ab initio study of strain-driven vacancy clustering in aluminum
Sayan Bhowmik, Andrew J. Medford, Phanish Suryanarayana, Abhiraj Sharma, and John E. Pask
Phys. Rev. B 112, 174105 (2025) - Published 3 November, 2025
Quantum anharmonic effects in hydrogen bond symmetrization of high-pressure ice
Qi Zhang and Lei Wang
Phys. Rev. B 112, 174106 (2025) - Published 4 November, 2025
Electronic and optical properties of lanthanide-doped : Impact of ionic size and orbital configuration mismatch
Hyosik Kang, Raquel Queiroz, and Lukas Muechler
Phys. Rev. B 112, 174107 (2025) - Published 4 November, 2025
Flat quasicrystalline tilings in terms of density wave approach
Aleksey S. Roshal, Olga V. Konevtsova, and Sergei B. Rochal
Phys. Rev. B 112, 174108 (2025) - Published 5 November, 2025
Charge density wave in the intermetallic oxides
Rafaela F. S. Penacchio, Siham Mohamed, Haley A. Harms, Sérgio L. Morelhão, Lin-Lin Wang, Sergey L. Bud'ko, Paul C. Canfield, and Tyler J. Slade
Phys. Rev. B 112, 174109 (2025) - Published 5 November, 2025
Charge density wave (CDW) transitions can be associated with electron-phonon coupling. Here, based on transport and diffraction measurements, and supported by theoretical calculations, the authors demonstrate that the PbO (=La, Ce) family hosts an electron-phonon coupling-driven CDW at low temperatures. The high-temperature structure contains linear La-Pb chains, and the CDW is associated with the formation of La-Pb pairs within these chains. The presence of a low-temperature CDW transition is suggested by anomalously large thermal ellipses associated with the La atoms in the chains, potentially offering a means of searching for potential CDW compounds.
Chain disorder induced by the bonding polarity in the incommensurate structure of antimony
Bohao Zhao, Beilei Liu, Yue-Chao Wang, Xuqiang Liu, Yanlong Chen, Jiao An, Yuanji Xu, Xin Chen, Haifeng Liu, Yu Liu, Haifeng Song, and Chuanlong Lin
Phys. Rev. B 112, 174110 (2025) - Published 5 November, 2025
First-principles local-stress calculations for oxygen vacancies in silicon oxide glass materials
Koshin Maekawa, Takumu Ito, Tomoyuki Tamura, Shingo Tanaka, Masanori Kohyama, and Assil Bouzid
Phys. Rev. B 112, 174111 (2025) - Published 6 November, 2025
Low-temperature polarity in antiferroelectric and driven by dynamical covalency in the and substructures
Annette Bussmann-Holder, Marcin Fiajłkowski, Andrzej Majchrowski, A. Szewczyk, J. Więckowski, Iwona Lazar, Andrzej Soszyński, and Krystian Roleder
Phys. Rev. B 112, 174112 (2025) - Published 7 November, 2025
The thermodynamics of perovskite in Earth's lower mantle
Yongjoong Shin, Enrico Di Lucente, Nicola Marzari, and Lorenzo Monacelli
Phys. Rev. B 112, 174113 (2025) - Published 14 November, 2025
Multiscale lattice and bonding dynamics in high-entropy ferroelectrics
Feifan Hu, Zheng Wu, Wenshuo Cao, Kai Jiang, Haonan Peng, Zhen Liu, Genshui Wang, Tao Wang, Xiaomei Qin, Chuanqing Li, Yanxue Tang, Xiangyong Zhao, Feifei Wang, Zhigao Hu, Anyang Cui, and Junhao Chu
Phys. Rev. B 112, 174114 (2025) - Published 14 November, 2025
Understanding the driving forces of the phase transition in via the effective site energy model
F. Berthier, R. Tétot, and B. Legrand
Phys. Rev. B 112, 174115 (2025) - Published 17 November, 2025
Interplay of electrostatic screening and crystallographic orientation governing domain wall morphology in ferroelectric nanodots
Shilong Feng, Shuai Yuan, Wenbo Ma, Yulan Liu, and Biao Wang
Phys. Rev. B 112, 174116 (2025) - Published 18 November, 2025
Optical and vibrational properties of : Pseudo Jahn-Teller distortion
L. Gómez, F. Rodríguez, F. Aguado, and R. Valiente
Phys. Rev. B 112, 174117 (2025) - Published 21 November, 2025
Simulating charging characteristics of lithium iron phosphate by electro-ionic optimization on a quantum annealer
Tobias Binninger, Yin-Ying Ting, Konstantin Köster, Nils Bruch, Payam Kaghazchi, Piotr M. Kowalski, and Michael H. Eikerling
Phys. Rev. B 112, 174118 (2025) - Published 24 November, 2025
Arbitrary number of tunable localized states by synthetic band windings
Meng-Yang Liu, Ze-Guo Chen, Xiao-Chen Sun, Ming-Hui Lu, and Yan-Feng Chen
Phys. Rev. B 112, 174119 (2025) - Published 24 November, 2025
Invariant-based hyperelastic constitutive model for hexagonal two-dimensional materials
Serge R. Maalouf and Senthil S. Vel
Phys. Rev. B 112, 174120 (2025) - Published 24 November, 2025





