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This paper studies the first-principles calculations of the effect of hydrostatic pressure on the structural, electronic and magnetic properties of Ga0.75Cr0.25As dilute magnetic semiconductor in zb (B3) phase. High-pressure behaviour… Click to show full abstract
This paper studies the first-principles calculations of the effect of hydrostatic pressure on the structural, electronic and magnetic properties of Ga0.75Cr0.25As dilute magnetic semiconductor in zb (B3) phase. High-pressure behaviour of Ga0.75Cr0.25As has been investigated between 0 and 100 GPa. The calculations have been performed using DFT as implemented in code SIESTA using LDA + U as an exchange-correlation (XC) potential. The study of band structures shows half-metallic ferromagnetic nature with 100% spin polarization. Under application of external pressure, the valence band and conduction band are shifted from their positions which lead to modification of electronic structure.
Journal Title: Journal of Superconductivity and Novel Magnetism
Year Published: 2017
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