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arXiv · 2203.14108

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

M. Caid·Y. Rached·D. Rached·O. Cheref·H. Rached·S. Benalia·M. Merabet
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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)$_n$.

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M. Caid, Y. Rached, D. Rached, O. Cheref, H. Rached, S. Benalia, M. Merabet. 2022-03-26. Electronic structure of short-period ZnSe/ZnTe superlattices based on DFT calculations. https://doi.org/10.5488/cmp.25.13701

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