Computational study of structural, electronic, magnetic and optical properties of (ZnTe)m/(MnTe)n superlattices

In this paper, we studied the structural, electronic, magnetic, and optical properties of (ZnTe)m/(MnTe)n superlattices with very small size layers (m-n: 1-1, 2-2, and 3-1). This work is purely theoretical and it's performed using the functional density theory (DFT) with the full-potential linear muffin-tin orbital (FP-LMTO) method implemented in the LmtART calculation code. We adopted the GGA + U formalism for the exchange-correlation potential. The obtained results demonstrate the existence of a strong correlation between the electronic, magnetic and optical properties of (ZnTe)m/(MnTe)n superlattices and their structural properties. In addition, and for more details on the behavior of these nanostructure systems, the density of states (DOS and PDOS), the s-d exchange constant (N-0 alpha) and the p-d exchange constant (N0(beta)) are calculated and analyzed. The dielectric function epsilon(omega) is calculated for radiation energies up to 35 eV. The obtained results show that the static dielectric constant increases significantly with the increase in the number of monolayers m.