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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...
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| Vydáno v: | Sci Technol Adv Mater |
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| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Taylor & Francis
2018
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5827794/ https://ncbi.nlm.nih.gov/pubmed/29511390 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/14686996.2018.1430449 |
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