๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

First-principles investigation of structural phase transitions and electronic properties of CuGaSe2 up to 100GPa

โœ Scribed by Xue, Hong-Tao; Tang, Fu-Ling; Lu, Wen-Jiang; Feng, Yu-Dong; Wang, Zhi-Min; Wang, Yi

Book ID
119220318
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
658 KB
Volume
67
Category
Article
ISSN
0927-0256

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

First-principles calculations of the str
First-principles calculations of the structural, electronic, and optical properties of LiF up to 300 GPa
โœ Zhi-Hong Sun; Jun Dong; Yan-Wen Xia ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 882 KB

The structural, electronic, and optical properties of LiF are investigated at high pressures using the plane-wave pseudo-potential density functional method (DFT) within the generalized gradient approximation (GGA). From the analysis of Gibbs free energies, we find that no phase transition takes pla