First Principles Study of Half Metallic Properties of VSb/GaSb(001) Interface

We have studied the structural, electronic and magnetic properties of VSb/GaSb(001) heterostructure within the framework of the density functional theory by using FPLAPW+lo approach. The half-metallicity character is preserved at VSb/GaSb (001) interface. The magnetic moment of V atom in interface is reduced and the magnetic moment of the interface Sb atom is equal to the average of the corresponding bulk values in two sides of the interface. The band alignment properties are computed and a rather large minority valance band offset of about 1.25eV is observed in this heterojunction.

Keywords:

DFT , Spintronic , Interface , Magnetic properties , Electronic properties