CALCULATIONS OF THE TOTAL-ENERGY, ELECTRON-PHONON INTERACTION, AND STONER PARAMETER FOR METALS

Authors
SIGALAS MM PAPACONSTANTOPOULOS DA
Citation
Mm. Sigalas et Da. Papaconstantopoulos, CALCULATIONS OF THE TOTAL-ENERGY, ELECTRON-PHONON INTERACTION, AND STONER PARAMETER FOR METALS, Physical review. B, Condensed matter, 50(11), 1994, pp. 7255-7261
Citations number
28
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physical review. B, Condensed matter → ACNP
ISSN journal
01631829
Volume
50
Issue
11
Year of publication
1994
Pages
7255 - 7261
Database
ISI
SICI code
0163-1829(1994)50:11<7255:COTTEI>2.0.ZU;2-A
Abstract
Using the augmented-plane-wave method, we performed total-energy calcu lations for all the metals crystallizing in the hcp structure and for all the 5d metals in the hcp structure. Also, using the predicted equi librium lattice constants from our present and previous total-energy c alculations, we carried out band-structure calculations that explore p ossibilities for superconductivity and magnetism in all the transition metals in the fee, bcc, and hcp structures.