First-principles study of structural, el
โ
Chenliang Li; Biao Wang; Rui Wang; Hai Wang; Xiaoyan Lu
๐
Article
๐
2008
๐
Elsevier Science
๐
English
โ 244 KB
The structural parameters, elastic, electronic, and optical properties of hexagonal BiAlO 3 were investigated by the density functional theory. The calculated structural parameters are in good agreement with previous calculation and experimental data. The structural stability of BiAlO 3 has been con