AN AUGMENTED-SPACE RECURSIVE TECHNIQUE FOR THE CALCULATION OF ELECTRONIC-STRUCTURE OF RANDOM BINARY-ALLOYS

Citation
T. Saha et al., AN AUGMENTED-SPACE RECURSIVE TECHNIQUE FOR THE CALCULATION OF ELECTRONIC-STRUCTURE OF RANDOM BINARY-ALLOYS, Journal of physics. Condensed matter, 6(17), 1994, pp. 245-251
Citations number
15
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
09538984
Volume
6
Issue
17
Year of publication
1994
Pages
245 - 251
Database
ISI
SICI code
0953-8984(1994)6:17<245:AARTFT>2.0.ZU;2-G
Abstract
We present here a computationally feasible and fast technique for obta ining the electronic structure of random alloys which allows us to inc orporate effects like clustering, short-range order and off-diagonal d isorder arising out of size mismatch and consequent lattice distortion s. The method combines the augmented-space technique with the recursio n method and the tight-binding LMTO. AgPd alloys are studied to illust rate our procedure.