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Scholars Journal of Physics, Mathematics and Statistics | Volume-8 | Issue-08
Ab Initio Study of Structural, Electronic and Optical Properties of Full-Heusler Compound CO2MnZ (Z=Si, Ge) Using Wien2k Code
J. Bhavani, Bhavhani K
Published: Oct. 30, 2021 | 122 78
DOI: 10.36347/sjpms.2021.v08i08.004
Pages: 153-165
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Abstract
The structural, electronic and optical properties of the full Heusler compounds Co2MnZ (Z= Si, Ge) have been studied using the Wien2k application. Half metallic ferromagnetism has been predicted in these compounds using the first principle calculations. The Full Potential Linearized Augmented Plane Wave (FP-LAPW) method along with local orbitals have been incorporated to solve the Hamiltonian of the system and hence to study the properties. The exchange-correlation potential is determined using PBE-GGA (Perdew, Becke, and Enzerhof-Generalized Gradient Approximation) potential. Among various full Heusler compounds, these compounds have been concentrated because of its enormous applications in the field of spintronics and magneto electronics. The property of half metallicity makes these compounds unique and noticeable from other compounds of the same class. The results have been compared with the available theoretical data the results obtained from this work were in good agreement with the compared theoretical values.