ELECTRONIC-STRUCTURE AND MAGNETIC-PROPERTIES OF RANDOM ALLOYS - FULLYRELATIVISTIC SPIN-POLARIZED LINEAR-MUFFIN-TIN-ORBITAL METHOD

Authors
SHICK AB DRCHAL V KUDRNOVSKY J WEINBERGER P
Citation
Ab. Shick et al., ELECTRONIC-STRUCTURE AND MAGNETIC-PROPERTIES OF RANDOM ALLOYS - FULLYRELATIVISTIC SPIN-POLARIZED LINEAR-MUFFIN-TIN-ORBITAL METHOD, Physical review. B, Condensed matter, 54(3), 1996, pp. 1610-1621
Citations number
45
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physical review. B, Condensed matter → ACNP
ISSN journal
01631829
Volume
54
Issue
3
Year of publication
1996
Pages
1610 - 1621
Database
ISI
SICI code
0163-1829(1996)54:3<1610:EAMORA>2.0.ZU;2-5
Abstract
A Green's function method is developed to calculate thr electronic and magnetic properties or random alloys containing heavy elements. Based on the local spin density approximation, the all-electron spin-polari zed version of thr fully relativistic linear muffin-tin-orbital method in the tight-binding representation is used to describe disorder with in the coherent potential approximation. The method is first tested on ferromagnetic 3d metals (Fr, Co, Ni) and then applied to study tile e lectronic and magnetic properties of the fcc alloy systems Co50Ni50 an d Cu50Pt50.