Abstract:

Diluted magnetic semiconductors (DMS) which are used as spinelectron devices have been researched popularly because of their excellent electronic and magnetic properties. We used VASP code based on the density functional theory to calculate the stability, electronic and magnetic properties of the unit cell of CrTe,MnTe and compared the stability, electric and magnetic properties of CrTe with those of MnTe with the same structure as that of CrTe. We found that the stable state of CrTe exibits the NiAstype hexagonal structure. The metastable state of it displays three structures called zincblende structure, wurtzite structure and rock salt structure, the three structures are all half metallic properties.

Key words: diluted magnetic semiconductors, the first principle; band structure, magnesium