Complementary evaluation of structure stability of perovskite oxides using bond-valence and density-functional-theory calculations

Ikuya Yamada(Osaka Prefecture University), Akihiko Takamatsu(Osaka Prefecture University), Hidekazu Ikeno(Osaka Prefecture University)
Science and Technology of Advanced Materials
February 19, 2018
10.1080/14686996.2018.1430449
Cited by 54Open Access
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Abstract

> 0.2 valence unit) correspond to the difference in total energy of 50-200 meV per formula unit.

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