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

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-c...

Full description

Saved in:
Bibliographic Details
Published in:arXiv.org 2022-03
Main Authors: Caid, M, Rached, Y, Rached, D, Cheref, O, Rached, H, Benalia, S, Merabet, M
Format: Article
Language:English
Subjects:
Bulk modulus
Electronic structure
Mathematical analysis
Monolayers
Optical properties
Refractivity
Superlattices
Zinc tellurides
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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)\(_n\).
ISSN:2331-8422
DOI:10.48550/arxiv.2203.14108