Alkali metal-substituted bismuth-based perovskite compounds: A DFT study

Alkali metal-substituted bismuth-based perovskite compounds: A DFT study

In this study, we have performed density functional theory based calculations to investigate the effect of alkali substituents M on the structure and electronic properties of (Bi0.5M0.5)TiO3 compounds with M = Li, Na and K. When the ionic radius of the substituting M cation increases, the correspond...

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Bibliographic Details
Main Authors:	Nguyen Hoang Linh, Nguyen Hoang Tuan, Dang Duc Dung, Phung Quoc Bao, Bach Thanh Cong, Le Thi Hai Thanh
Format:	Article
Language:	English
Published:	Elsevier 2019-09-01
Series:	Journal of Science: Advanced Materials and Devices
Online Access:	http://www.sciencedirect.com/science/article/pii/S2468217919302060

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