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 ¼ Li, Na and K. When the ionic radius of the substituting M cation increases, the correspo...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2019
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| Subjects: | |
| Online Access: | http://repository.vnu.edu.vn/handle/VNU_123/67691 https://doi.org/10.1016/j.jsamd.2019.06.005 |
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| Institution: | Vietnam National University, Hanoi |
| Language: | English |