First-principles and molecular-dynamics study of structure and bonding in perovskite-type oxynitridesABO2N (A= Ca, Sr, Ba;B= Ta, Nb)

标题
First-principles and molecular-dynamics study of structure and bonding in perovskite-type oxynitridesABO2N (A= Ca, Sr, Ba;B= Ta, Nb)
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 29, Issue 13, Pages 2260-2267
出版商
Wiley
发表日期
2008-02-12
DOI
10.1002/jcc.20895

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