Abstract

We have studied the first principle calculations of the effect of hydrostatic pressure on the structural, electronic and magnetic properties of Ga0.75Mn0.25As DMS in zb (B3) phase. High pressure behavior of Ga0.75Mn0.25As has been investigated between 0 GPa to100 GPa The calculations have been performed using DFT as implemented in code SIESTA using LDA+U as exchange-correlation (XC) potential. Study of band structures shows half-metallic ferromagnetic nature with 100% spin polarization at P > 0GPa. Under application of external pressure, the valence band and conduction band are shifted downward from their positions, which lead to modification of electronic structure.

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