✦ LIBER ✦

Structural and electronic properties of neutral clusters Ga12X (X=C, Si, Ge, Sn, and Pb) and their anions from first principles

✍ Scribed by Guifang Yuan; Pengfei Lu; Lihong Han; Zhongyuan Yu; Yue Shen; Long Zhao; Yumin Liu

Publisher: Elsevier Science
Year: 2011
Tongue: English
Weight: 501 KB
Volume: 406
Category: Article
ISSN: 0921-4526
DOI: 10.1016/j.physb.2011.06.034

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

ChemInform Abstract: Energetic and Elect

ChemInform Abstract: Energetic and Electronic Properties of X- (Si, Ge, Sn, Pb) Doped TiO2 from First-Principles.

✍ Run Long; Ying Dai; Guo Meng; Baibiao Huang 📂 Article 📅 2009 🏛 John Wiley and Sons ⚖ 16 KB 👁 2 views

Theoretical prediction of the structural

Theoretical prediction of the structural and electronic properties of pseudocubic X3As4 (X=C, Si, Ge and Sn) compounds

✍ Z. Charifi; H. Baaziz; B. Hamad 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 444 KB

The structural and electronic properties of X 3 As 4 (X ¼ C, Si, Ge and Sn) compounds were investigated using density functional theory (DFT) calculations. We employed both the generalized-gradient approximation (GGA), which is based on exchange-correlation energy optimization to calculate the total