Abstract
The crystal structure and optical spectra of MnAs with a NiAs-type hexagonal structure are investigated using spin-polarized full-potential calculations in the framework of the density functional theory within Wu-Cohen and Tran-Blaha-modified Becke-Johnson generalized gradient approximation approaches. Features such as lattice parameters, bulk modulus and its first-pressure derivative are presented. The evolution of the optical spectra as a function of the photon energy for both spin up and spin down channels is examined and discussed. The effect of spin channel on optical spectra is found to be significant. This may provide advantage of the spin degree of freedom making thus the material of interest as a potential candidate for use in fabrication of new functional spintronics materials.