Ume Farwa2025-12-032025-12-032021https://escholar.umt.edu.pk/handle/123456789/14778In this research structural and magnetic properties of spinel ferrite CuFe2O4 are explored with the use of density functional theory with generalized gradient Approximation in wien2k package. We describe these properties in this thesis using full potential linearized augmented plane wave (FP-LAPW) scheme and then make an association with the existing experimental and theoretical data. The calculated structural properties such as lattice parameter, bulk modulus, the derivative of bulk modulus and the ground state energy, are bring into being in outstanding conformity with experimental and theoretical results. The magnetic properties of the CuFe2O4 spinel ferrite also have been calculated. The calculated magnetic anisotropy energies for different crystallographic direction provide us special information and normally we are concerned with the maximum calculated magnetic anisotropy energy. Maximum magnetic anisotropy energy leads us to investigate the easy and hard direction of magnetization and also we recognized the appropriateness of the CuFe2O4 for different magnetic and spintronic applications. The highest energy is in fact the energy that is requisite to switch the magnetization of the crystal from an easy direction to the hard direction.enThesis