Abstract
In this paper we present the results obtained from first principle calculations of the effect of hydrostatic pressure on the structural and electronic properties of Cd1-xCrxS diluted magnetic semiconductor in Zinc Blende (B3) phase at x=0.25. High pressure behavior of Cd1-xCrxS has been investigated between 0 GPa to100 GPa The calculations have been performed using Density functional theory as implemented in the Spanish Initiative for Electronic Simulations with Thousands of Atoms code using local density approximation as exchange-correlation (XC) potential. Calculated electronic band structures of Cd1-xCrxS are discussed in terms of contribution of Cr 3d(5) 4s(1), Cd 4d(10) 5s(2), S 3s(2) 3p(4) orbital's. Study of band structures shows half-metallic ferromagnetic nature of Cd0.75Cr0.25S with 100% spin polarization. Under application of external pressure, the valence band and conduction band are shifted upward which leads to modification of electronic structure