Electronic structure of short-period ZnSe/ZnTe superlattices based on DFT calculations

Abstract

In the present study we discuss the effect of variation in the number of monolayers $n$ on the electronic and optical properties of superlattices (SLs) (ZnSe)$_n$/(ZnTe)$_n$. The total energies were calculated by the full-potential linear muffin-tin orbital (FP-LMTO) method, and the exchange-correlation energy was applied in the local density approximation (LDA). First, the calculations show a decrease in the derivative of bulk modulus and electronic bandgap with an increase in the number of monolayers $n$. Second, the radiation energies up to $15$ eV, the dielectric function $\varepsilon(\omega$), the refractive index $n(\omega)$, and the reflectivity $R(\omega)$ are studied. These calculations may be beneficial to understand the properties of short-period superlattices (ZnSe)$_n$/(ZnTe)$_n$.