Journal of the Magnetics Society of Japan
Online ISSN : 1880-4004
Print ISSN : 0285-0192
ISSN-L : 0285-0192
Magnetism
Electronic Structure of Gd3C Calculated by the DV-Xα Method
J. Shi, H. Izumi, K. Machida, G. Adachi
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Keywords: gadolinium carbide, magnetization, Curie temperature, molecular orbital calculation, DV-Xα method
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1996 Volume 20 Issue 2 Pages 285-288

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Abstract
The electronic structure and magnetic properties of Gd3C were investigated by the discrete variational (DV-Xα)calculation method. The magnetic moments of gadolinium in Gdl7 and Gd5C2 clusters were 8.38 and 8.84μB,respectively. These values agree qualitatively with experimental ones (7.96 and 8.28μB).Spin-fluctuation theory is used to ex- plain the large change in the Curie temperature of carbide.
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© 1996 by The Magnetics Society of Japan
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