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First principles study of structural, phonon, optical, elastic and electronic properties of Y3Al5O12

โœ Scribed by Huaixin Guo; Mingfu Zhang; Jiecai Han; Hailiang Zhang; Ningning Song

Book ID
113850028
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
449 KB
Volume
407
Category
Article
ISSN
0921-4526

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First-principles study of structural, el
First-principles study of structural, elastic, electronic, and optical properties of hexagonal BiAlO3
โœ Chenliang Li; Biao Wang; Rui Wang; Hai Wang; Xiaoyan Lu ๐Ÿ“‚ Article ๐Ÿ“… 2008 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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