Electronic, Optical, Mechanical and Lattice Dynamical Properties of MgBi<sub>2</sub>O<sub>6</sub>: A First-Principles Study

Electronic structure, optical, mechanical, and lattice dynamical properties of the tetragonal MgBi<sub>2</sub>O<sub>6</sub> are studied using a first-principles method. The band gap of MgBi<sub>2</sub>O<sub>6</sub> calculated from the PBE0 hybrid funct...

書誌詳細
出版年:	Applied Sciences
主要な著者:	Lin Liu, Dianhui Wang, Yan Zhong, Chaohao Hu
フォーマット:	論文
言語:	英語
出版事項:	MDPI AG 2019-03-01
主題:	MgBi<sub>2</sub>O<sub>6</sub> optical properties mechanical anisotropy lattice dynamics first-principles calculations
オンライン･アクセス:	https://www.mdpi.com/2076-3417/9/7/1267

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