Complementary evaluation of structure stability of perovskite oxides using bond-valence and density-functional-theory calculations
Estimation of structure stability is an essential issue in materials design and synthesis. Global instability index (GII) based on bond-valence method is applied as a simple indication, while density functional theory calculation is adopted for accurate evaluation of formation energy. We compare the...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Taylor & Francis Group
2018-12-01
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| Series: | Science and Technology of Advanced Materials |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.1080/14686996.2018.1430449 |