Topological defects, inherent structures, and hyperuniformity
Duyu Chen, Yu Zheng, and Yang Jiao
Phys. Rev. B 104, 174101 (2021) - Published 1 November, 2021
Revisiting structural phases in some perovskites: The case of
Yali Yang, Hongjun Xiang, and Laurent Bellaiche
Phys. Rev. B 104, 174102 (2021) - Published 1 November, 2021
Pressure-induced structural and electronic phase transitions of uranium trioxide
Jiang-Jiang Ma, Cheng-Bin Zhang, Ruizhi Qiu, Ping Zhang, Bingyun Ao, and Bao-Tian Wang
Phys. Rev. B 104, 174103 (2021) - Published 3 November, 2021
Phase diagram with an antiferroelectric/ferroelectric phase boundary in energy-storage ceramics by lattice dynamics and electronic transitions
Kai Dai (戴凯), Anyang Cui (崔安阳), Yan Ye (叶艳), Kai Jiang (姜凯), Jinzhong Zhang (张金中), Yawei Li (李亚巍), Genshui Wang (王根水), Xianlin Dong (董显林), Zhigao Hu (胡志高), and Junhao Chu (褚君浩)
Phys. Rev. B 104, 174104 (2021) - Published 4 November, 2021
Probing phonon softening in ferroelectrics by scanning probe microwave spectroscopy
Mykola Yelisieiev, Petro Maksymovych, and Anna N. Morozovska
Phys. Rev. B 104, 174105 (2021) - Published 9 November, 2021
Pressure-induced superconductivity in the hydrogen-rich pseudobinary compounds
Wen-Hua Yang, Wen-Cai Lu, Wei Qin, Hui-Juan Sun, Xu-Yan Xue, K. M. Ho, and C. Z. Wang
Phys. Rev. B 104, 174106 (2021) - Published 15 November, 2021
Accurate force field of two-dimensional ferroelectrics from deep learning
Jing Wu, Liyi Bai, Jiawei Huang, Liyang Ma, Jian Liu, and Shi Liu
Phys. Rev. B 104, 174107 (2021) - Published 17 November, 2021
A force field that accurately describes interatomic interactions is the prerequisite for running molecular dynamics, an efficient method for large-scale simulations. Compared to the large number of two-dimensional (2D) materials, only a handful of force fields of 2D materials have been developed. Using a concurrent learning procedure that efficiently updates the training database, the authors develop here a deep neural-network-based force field for monolayer InSe. The deep potential enabled the predictions of a range of thermodynamic properties of InSe polymorphs, including the ferroelectric phase.
Hybrid-type nodal ring phonons and coexistence of higher-order quadratic nodal line phonons in an AgZr alloy
Feng Zhou, Zeying Zhang, Hong Chen, Minquan Kuang, Tie Yang, and Xiaotian Wang
Phys. Rev. B 104, 174108 (2021) - Published 17 November, 2021
Disentangling the phase sequence and correlated critical properties in by structural studies
M. M. Gomes, T. T. Carvalho, B. Manjunath, R. Vilarinho, A. S. Gibbs, K. S. Knight, J. A. Paixão, V. S. Amaral, A. Almeida, P. B. Tavares, and J. Agostinho Moreira
Phys. Rev. B 104, 174109 (2021) - Published 18 November, 2021
Polaronic enhancement of second-harmonic generation in lithium niobate
Agnieszka L. Kozub, Arno Schindlmayr, Uwe Gerstmann, and Wolf Gero Schmidt
Phys. Rev. B 104, 174110 (2021) - Published 18 November, 2021
Polar magnetic metallic state in few-layer
Marco Campetella and Matteo Calandra
Phys. Rev. B 104, 174111 (2021) - Published 23 November, 2021
Design and synthesis of clathrate with superconductivity
Liang Ma, Xin Yang, Guangtao Liu, Hanyu Liu, Guochun Yang, Hui Wang, Jinqun Cai, Mi Zhou, and Hongbo Wang
Phys. Rev. B 104, 174112 (2021) - Published 23 November, 2021
Stress tensor in the linearized augmented plane wave method
Kamal Belbase, Andreas Tröster, and Peter Blaha
Phys. Rev. B 104, 174113 (2021) - Published 29 November, 2021
Pressure-driven electronic and structural phase transition in intrinsic magnetic topological insulator
Yunyu Yin, Xiaoli Ma, Dayu Yan, Changjiang Yi, Binbin Yue, Jianhong Dai, Lin Zhao, Xiaohui Yu, Youguo Shi, Jian-Tao Wang, and Fang Hong
Phys. Rev. B 104, 174114 (2021) - Published 29 November, 2021









