Optical response and magnetic moment of MoS2 material

The present contribution deals with the optical spectra and magnetic moment of MoS2 material in the hexagonal structure. The calculations are performed using spin-polarized full-potential linearized augmented-plane-wave method. The generalized gradient approximation with the modified Becke-Johnson correction is employed so as to describe the exchange-correlation potential. The optical spectra are presented along both x and z axes. The spectra show an anisotropic character between the two directions of interest. Our findings illustrates that the prominent peaks in the electron energy-loss spectrum correspond to the reduction of the reflectivity spectra. The optical properties show a good optical absorption and conductivity in the visible range. The total magnetic moment for the whole unit cell of MoS2 material is found to be 1.87 mu B. The effect of changing the spin channel on all optical features being studied here is found to be negligible. The information derived from the present investigation show that MoS2 material can be a promising candidate for photovoltaic and microelectronics devices applications.