AMORPHOUS IRON REVISITED - AN AB AB-INITIO STUDY

Authors
Citation
M. Liebs et M. Fahnle, AMORPHOUS IRON REVISITED - AN AB AB-INITIO STUDY, Physical review. B, Condensed matter, 53(21), 1996, pp. 14012-14015
Citations number
19
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
53
Issue
21
Year of publication
1996
Pages
14012 - 14015
Database
ISI
SICI code
0163-1829(1996)53:21<14012:AIR-AA>2.0.ZU;2-#
Abstract
The magnetic order in structurally disordered Fe is studied by ab init io band-structure calculations which are performed in a fully self-con sistent manner with respect to both. magnitude and orientation of the local magnetic moments. Several degrees of structural disorder as well as the density dependence of the magnetic state are considered. It is shown that the observed phenomena in amorphous iron can be understood in relation to the magnetic states of fee iron: At low densities (les s than or equal to 7.4 g/cm(3)) amorphous iron remains ferromagnetic, at approximate to 7.9 g/cm(3) competing exchange interactions lead to statistical spin configurations, at higher densities (approximate to 8 .4 g/cm(3)) spatially fluctuating antiferromagnetic couplings result i n a smearing of the magnetic states of fee iron at the corresponding d ensity.