The doping of transition metal atoms in nonmagnetic semiconductor material results in the formation of Dilute Magnetic Semiconductors (DMS) that can be promising candidates for the spintronics industry. GaP belongs to the III-V semiconductor category and is a soft semiconductor in nature. In this paper, the investigation of the effect of hydrostatic pressure on the structural, electronic and magnetic properties of Ga0.75Cr0.25P ternary alloy in the Zinc-Blende (B3) phase at 0 GPa to 26 GPa pressure range has been done using the first principle calculations as implemented in Spanish Initiative for Electronic Simulations with Thousands of Atoms (SIESTA) code. The theoretical investigation of the electronic and magnetic properties of this compound represents that the compound is a half-metallic ferromagnet and shows 100% spin polarization at different values of pressure. It is found that the band gap increases with an increase in pressure as spin-polarized band structures experience changes with applied pressure. The calculated results show that the lattice constant and volume of the compound decrease along with an increase in induced local magnetic moments values on non-magnetic gallium and phosphorus atoms with applied pressure. Due to the p-d hybridization of Cr-3d and P-3p states, there is an induction of local magnetic moments on the non-magnetic Ga and P atoms. The total magnetic moment of compounds remains the same, but the induced local magnetic moment value on non-magnetic Ga and P increases along with a decrease in Cr with applied pressure.
Author
(s) Details
Kirandish Kaur
Guru Nanak College, Sri Muktsar Sahib (152026), India.
Suresh Sharma
DAV College, Abohar (152116), India.
Please see the book here:- https://doi.org/10.9734/bpi/crpps/v6/3105
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