| Issue |
J. Phys. Colloques
Volume 49, Number C8, Décembre 1988
Proceedings of the International Conference on Magnetism
|
|
|---|---|---|
| Page(s) | C8-201 - C8-202 | |
| DOI | https://doi.org/10.1051/jphyscol:1988887 | |
Proceedings of the International Conference on Magnetism
J. Phys. Colloques 49 (1988) C8-201-C8-202
DOI: 10.1051/jphyscol:1988887
Department of Material Physics, Faculty of Engineering Science, Osaka University, 1-1 Machikaneyama-cho, Toyonaka 560, Japan
J. Phys. Colloques 49 (1988) C8-201-C8-202
DOI: 10.1051/jphyscol:1988887
BANDS AND BONDS OF INTERCALATION COMPOUNDS OF LAYERED TRANSITION-METAL DICHALCOGENIDES
N. Suzuki, Y. Yarnasaki et K. MotizukiDepartment of Material Physics, Faculty of Engineering Science, Osaka University, 1-1 Machikaneyama-cho, Toyonaka 560, Japan
Abstract
Electronic band structures of non-magnetic and ferromagnetic states of FexTiS2 are calculated on the basis of a self-consistent APW method. Bond orders have been calculated also to get an insight into bonding nature of the intercalant atoms. The results of calculation show that d orbitals of intercalant atoms hybridize strongly with S-p orbitals.