First-principles study on the electronic structure, magnetic properties, elastic constants and sound velocity of the monoclinic crystal BiNiO3 under pressure

BiNiO3 is a perovskite material with potential applications in various fields. In this paper, the crystal structure, electronic structure and elastic constants of monoclinic BiNiO3 under different pressure have been studied by first-principles. The results show that applying pressure causes changes...

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Bibliographic Details
Main Authors: Li-Ke Gao, Xiao-Si Qi, Yan-Lin Tang
Format: Article
Language:English
Published: Elsevier 2024-03-01
Series:Results in Physics
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379724001505