First-Principles Calculations of Structural, Elastic, Electronic, and Thermodynamic Properties of ATiO3 (A = Ba or Pb) Perovskites

被引：0
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作者：
R. Maizi
R. Ksouri
N. Cheghib
A.-G. Boudjahem
M. Derdare
机构：
[1] Computational Catalysis Group,
[2] Laboratory of Applied Chemistry,undefined
[3] University of Guelma,undefined
来源：
Russian Journal of Inorganic Chemistry | 2023年 / 68卷
关键词：
DFT; BaTiO; PbTiO; elastic; electronic properties; thermodynamic properties;
D O I：
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学科分类号：
摘要：
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页码：1019 / 1028
页数：9
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