Article ID Journal Published Year Pages File Type
1564532 Computational Materials Science 2006 4 Pages PDF
Abstract

A full-potential linearized augmented-plane-wave method (FLAPW) is used to investigate the electronic structure of several bulk ferromagnetic Heusler alloys as well as Ni2MnGa(0 0 1) thin film and it on the GaAs(0 0 1) substrate. The changes of electronic structure and magnetic properties at surface are analyzed. The electronic structure at a (0 0 1) surface shows differences compared to the bulk. We find the increase of the magnetic moment at surface Mn atoms by about 0.3μB whereas Ni atoms have ∼0.3–0.4μB in the surface and subsurface layers.

Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
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