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...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2019-09-01
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| Series: | Journal of Science: Advanced Materials and Devices |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2468217919302060 |