English

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

Materials Science 2022-03-29 v1

Abstract

In the present study we discuss the effect of variation in the number of monolayers nn on the electronic and optical properties of superlattices (SLs) (ZnSe)n_n/(ZnTe)n_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 nn. Second, the radiation energies up to 1515 eV, the dielectric function ε(ω\varepsilon(\omega), the refractive index n(ω)n(\omega), and the reflectivity R(ω)R(\omega) are studied. These calculations may be beneficial to understand the properties of short-period superlattices (ZnSe)n_n/(ZnTe)n_n.

Keywords

Cite

@article{arxiv.2203.14108,
  title  = {Electronic structure of short-period ZnSe/ZnTe superlattices based on DFT calculations},
  author = {M. Caid and Y. Rached and D. Rached and O. Cheref and H. Rached and S. Benalia and M. Merabet},
  journal= {arXiv preprint arXiv:2203.14108},
  year   = {2022}
}

Comments

10 pages, 7 figures, 5 tables