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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...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Veröffentlicht in:Sci Technol Adv Mater
Hauptverfasser: Yamada, Ikuya, Takamatsu, Akihiko, Ikeno, Hidekazu
Format: Artigo
Sprache:Inglês
Veröffentlicht: Taylor & Francis 2018
Schlagworte:
Online Zugang: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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