Band Theory of Super-Lattice Fe_3Al

元データ 1976-11-15 社団法人日本物理学会

概要

The energy bands of an ordered alloy Fe_3Al both in paramagnetic and ferromagnetic state are calculated by the symmetrized augmented plane wave (SAPW) method. There are two types of iron atoms (Fe(I) and Fe(II)) in ferromagnetic state with a different value of the magnetic moment. The density-of-states of Fe(I) which has eight iron atoms as its nearest neighbors is different from that of Fe(II) which is surrounded by four iron atoms and four aluminum atoms. The former density is quite similar to that of iron metal, but the latter is considerably different. The d-bands of majority spin electrons mostly lie below the Fermi level, whereas those of minority spin electrons are extended across the Fermi level. The values of magnetic moments calculated for Fe(I) and Fe(II) are in good agreement wit experimental values. The difference between magnetic moments on the atom Fe(II) and on Fe atom in iron metal seems to be attributed to the change of the density-of-states near the top of the d-bands. It is evident that the electronic structures of Fe(II) atoms have been considerably affected by the neighboring aluminum atoms.

著者

ISHIDA Shoji Department of Physics, Faculty of Science, Kagoshima University
Ishida Junji Department Of Physics Faculty Of Science Kagoshima University
Ishida Junji Department Of Physics Faculty Of Science University Of Kagoshima
ASANO Setsuo Institute for Solid State Physics, The University of Tokyo
YAMASHITA Jiro Institute for Solid State Physics, The University of Tokyo
Asano Setsuo Institute For Solid State Physics University Of Tokyo
Ishida Shoji Department Of Physics Faculty Of Science Kagoshima University
Yamashita Jiro Institute For Solid State Physics The University Of Tokyo
Yamashita Jiro College Of Humanities And Science Nihon University
Ishida Shuichi Division Of Cardiovascular Medicine Department Of Internal Medicine Ohmori Hospital Toho University
Ishida Junji Department of Physics,Faculty of Science,Kagoshima University
Yamashita Jiro Gifu Die & Mold Engineering Co., Ltd.

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