J. Phys. Colloques
Volume 49, Numéro C8, Décembre 1988Proceedings of the International Conference on Magnetism
|Page(s)||C8-301 - C8-302|
J. Phys. Colloques 49 (1988) C8-301-C8-302
ELECTRONIC STRUCTURE AND MAGNETISME IN STABLE AND HYPOTHETICAL Y - Fe COMPOUNDSR. Coehoorn
Philips Research Laboratories, P. O. Box 80000, 5600 JA Eindhoven, The Netherlands
Ab-initio self-consistent band structure calculations were performed for the stable compounds Y2Fe17, Y6Fe23, YFe3 and YF2, and for the hypothetical compounds YFe12 and YFe5. The variation of the calculated volumes and magnetic moments with the Y-concentration agrees well with the experimental data. However, the absolute values show small but systematic deviations.