𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Point defect structures of YAl2 and ZrCo2 Laves phase compounds by first-principles calculations

✍ Scribed by Maja Krčmar; C.L. Fu


Book ID
116574297
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
302 KB
Volume
15
Category
Article
ISSN
0966-9795

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Structural and elastic properties of AlB
✍ Ke Liu; Xiao-Lin Zhou; Xiang-Rong Chen; Wen-Jun Zhu 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 265 KB

The equilibrium lattice constants, five independent elastic constants and Debye temperature of HCP structure AlB 2 are investigated by using a first-principles plane wave method with the relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter scheme in the frame of density function

Systematic studies on electronic structu
✍ Maeda, T. ;Takeichi, T. ;Wada, T. 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 213 KB

## Abstract We have systematically studied electronic structure of chalcopyrite‐type CuInSe~2~ and the other chalcopyrite compounds, __ABX__ ~2~ (__A__ = Cu, Ag; __B__ = In, Ga, Al; __X__ = Se, S). First‐principles calculations were performed within a density functional theory with the generalized