Role of trivalent substitution at octahedral side on ferromagnetism and transport properties of ZnX2S4 (X = Ti, V, Cr) spinels

The electronic, magnetic, and thermoelectric properties of ZnX2S4 (X = Ti, V, Cr) are addressed for spintronic. The more released in ferromagnetic (FM) states than antiferromagnetic (AFM) states report the stable ferromagnetism. The formation and cohesive energies ensure the FM states are thermodynamically favorable. The Heisenberg classical model computations have been applied for Curie temperature. The band structures (BS) and density of states (DOS) are computed to describe half-metallic ferromagnetism, spin polarization, spin-orbit coupling, and exchange mechanism. The ferromagnetism is further interpreted in terms of crystal field energy (E-crys), direct exchange energy Delta(x)(d), exchange constants (N-0 alpha and N-0 beta), magnetic moments, and exchange splitting energy Delta(x) (pd). The thermoelectric response is elaborated in terms of thermoelectric parameters including electrical and thermal conductivities, and Seebeck coefficient dependent power factor.