Publication Date:
2016-05-13
Description:
Author(s): Takahiro Shimada, Takahiro Matsui, Tao Xu, Kou Arisue, Yajun Zhang, Jie Wang, and Takayuki Kitamura To achieve a fundamental understanding of the multiferroic behavior and electronic properties of intrinsic vacancies in BiFe O 3 , here we performed first-principles calculations based on hybrid Hartree-Fock density functional theories, which can accurately describe defect electronic structures. Oxygen… [Phys. Rev. B 93, 174107] Published Thu May 12, 2016
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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