𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Structural stabilities, electronic, elastic and optical properties of SrTe under pressure: A first-principles study

✍ Scribed by Liwei Shi; Yifeng Duan; Xianqing Yang; Lixia Qin


Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
572 KB
Volume
406
Category
Article
ISSN
0921-4526

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


First-principles study of the structural
✍ B. Ghebouli; M.A. Ghebouli; M. Fatmi; A. Bouhemadou πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 756 KB

The structural, elastic, electronic, optical and thermodynamic properties of the perovskite chloride CsCdCl 3 were investigated using the pseudo-potential plane wave (PP-PW) within the Generalized Gradient Approximation (GGA) and Local Density Approximation (LDA). The computed lattice parameter agre

First-principles study of structural, el
✍ Chenliang Li; Biao Wang; Rui Wang; Hai Wang; Xiaoyan Lu πŸ“‚ Article πŸ“… 2008 πŸ› Elsevier Science 🌐 English βš– 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

First-principles study of structural, el
✍ Qi-Jun Liu; Zheng-Tang Liu; Yun-Fang Liu; Li-Ping Feng; Hao Tian; Jian-Gang Ding πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 907 KB

We have investigated the structural parameters, electronic structure and optical properties of orthorhombic SrZrO 3 using the plane-wave ultrasoft pseudopotential technique based on the first-principles densityfunctional theory (DFT). Our calculated structural parameters are in good agreement with t