𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Properties of ordered intermetallic alloys: first-principles and approximate methods

✍ Scribed by M.J. Mehl; D.J. Singh; D.A. Papaconstantopoulos


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
730 KB
Volume
170
Category
Article
ISSN
0921-5093

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


First-principles study of structural sta
✍ J.Z. Peng; Y.F. Wang; M.F. Gray πŸ“‚ Article πŸ“… 2008 πŸ› Elsevier Science 🌐 English βš– 243 KB

In this work, the structural stabilities and electronic properties of Mg-Nd intermetallic compounds were investigated using firstprinciples calculations based on density functional theory. The present results showed that lattice constants for all intermetallics considered are very close to the corre

Electronic and thermal properties of B2-
✍ Gitanjali Pagare; Vipul Srivastava; Sankar P. Sanyal; M. Rajagopalan πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier Science 🌐 English βš– 971 KB

The ground state electronic structure and thermal properties of B 2 -type intermetallic compounds AlRE (RE: Pm, Sm, Eu, Tb, Gd and Dy) have been studied using a self-consistent tight-binding linear muffin-tin orbital (TB-LMTO) method at ambient as well as at high pressure. These compounds show metal

A combinatorial study of inverse Heusler
✍ Michael Gilleßen; Richard Dronskowski πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 313 KB

## Abstract In continuation of our recent combinatorial work on 810 X~2~YZ full Heusler alloys, a computational study of the same class of materials but with the inverse (XY)XZ crystal structure has been performed on the basis of first‐principles (GGA) total‐energy calculations using pseudopotentia