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Ab initiostudy of the high-pressure behavior of CaSiO3perovskite

โœ Scribed by Daniel Y. Jung; Artem R. Oganov


Publisher
Springer-Verlag
Year
2005
Tongue
English
Weight
391 KB
Volume
32
Category
Article
ISSN
0342-1791

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Theoretical investigations of the physic
โœ Zi-Jiang Liu; Su-Qing Duan; Jun Yan; Xiao-Wei Sun; Cai-Rong Zhang; Yan-Dong Chu ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 435 KB

The first principles study of the physical properties of tetragonal CaSiO 3 perovskite is reported using the pseudopotential plane wave method within the local density approximation. The calculated equilibrium volume is in good agreement with the available experimental data. A complete elastic tenso