FIRST PRINCIPLES CALCULATIONS OF STRUCTURAL, ELECTRONIC, MECHANICAL AND LATTICE DYNAMICS OF A FERROMAGNETIC QUATERNARY HEUSLER ALLOY – CoRhMnGe

₦ 5,000.00
i h

ABSTRACT

This project investigates the structural, electronic, mechanical and lattice dynamics properties of the ferromagnetic quaternary Heusler alloy CoRhMnGe using first-principles calculations. The calculations employ density functional theory (DFT) to determine the material's ground state and its response to various external stimuli. This study aims to determine the structural stability of the alloy; calculate the electronic band structure and density of states; investigate the mechanical properties such as bulk modulus and shear modulus; study the lattice dynamics, including phonon dispersion and thermal properties

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