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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Taylor & Francis
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5827794/ https://www.ncbi.nlm.nih.gov/pubmed/29511390 http://dx.doi.org/10.1080/14686996.2018.1430449 |