A first-principle study of N-neighbor influence on electronic structure and magnetic properties of Fe

Authors
Kong, Y Pelzl, J Li, FS
Citation
Y. Kong et al., A first-principle study of N-neighbor influence on electronic structure and magnetic properties of Fe, J MAGN MAGN, 195(2), 1999, pp. 483-487
Citations number
10
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
ISSN journal
03048853 → ACNP
Volume
195
Issue
2
Year of publication
1999
Pages
483 - 487
Database
ISI
SICI code
0304-8853(199905)195:2<483:AFSONI>2.0.ZU;2-X
Abstract
The influence of neighboring N atoms on electronic structure and magnetic p roperties of Fe atoms in Fe4N with Ni4N-I and Ni4N-II structures is investi gated by first-principle LMTO method. The magnetic moment (2.50 mu(B)) of F e neighbored by one N is reduced prominently when compared to that (2.99 mu (B)) of the Fe having no N nearest neighbor and a much rapid reduction agai nst the decrease of cell volume is indicated. Strengthened Fe-N interaction in Fe4N with Ni4N-II structure makes the Curie temperature smaller. (C) 19 99 Published by Elsevier Science B.V. All rights reserved.