Electronic Structure of CsCl-Type Transition Metal Alloys

元データ 1972-12-25 理論物理学刊行会

概要

Transition metal alloys have a tendency to make a stable ordered lattice of the CsCl-type, when the average number of conduction electrons (including d-electrons) is the same as that of Cr. The electronic structures of VMn, TiFe and ScCo are investigated by the self-consistent KKR method, to clarify the stability of these alloys. It is found that the density-of-states of these alloys has a deep valley in the middle region, by which bonding and antibonding orbitals are well separated, and the Fermi energy lies in the valley. The electronic structure of ordered alloy ScCu is also investigated. Here the narrow d-bands of Cu are situated well below the d-bands of Sc, and s-, p-electrons are polarized by about 0.6/atom at the Cu-cell. Thus, the ionic bond seems to be important to make a stable ordered lattice of ScCu.

著者

Asano Setsuro Institute For Solid State Physics The University Of Tokyo
Yamashita Jiro Institute For Solid State Physics The University Of Tokyo

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