Various magnetic properties observed in Y-M (M=Mn, Fe, Co and Ni) and Y2Ma4 B (M=Fe and Co) intermetallic compounds are reviewed from a viewpoint of the itinerant electron model. The characteristics of the electronic density of states calculated for these compounds are summarised. It is shown that t
Electronic structure and magnetism of C15-type Laves phase compounds Y(Co, Al)2 and Y(Co, Si)2
β Scribed by M. Aoki; H. Yamada
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 287 KB
- Volume
- 177
- Category
- Article
- ISSN
- 0921-4526
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β¦ Synopsis
Electronic structures of the binary compound YCo, and the ordered ternary compounds Y(Co,_,Al,), and Y(Co,_,Si,), with the cubic Laves structure are calculated within the density functional theory. It is shown that the magnetic properties observed in the recent experiments, such as induced weak ferromagnetism and metamagnetic transitions, can be qualitatively explained by using the calculated results of the density-of-states curves. The role of the p-d hybridisation is discussed.
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The AICO molecule has been experimentally characterized as a strong complex with a large red-shift of the Vco stretching mode. Post Hartree-Fock ab initio methods including the treatment of correlation effects have predicted this molecule to be a weakly bound van der Waals complex, and were not able