Analysis of the structural and electronic properties of superlattices

This work involves the study of quantum well superlattices based on II/VI (CdTe)n/(HgTe)n semiconductor materials. These heterostructures possess interesting properties from both a structural and electronic perspective.The linear muffin-tin orbital method (FP-LMTO), based on density functional theory (DFT), was used. DFT is one of the ab initio methods. The exchange and correlation energies are described using the generalized gradient approximation (GGA). The structural properties of CdTe and HgTe compounds and their (CdTe)n/(HgTe)n superlattices were calculated for configurations (n = 1 to 2) in the zinc-blende phase. Among the main results found, the parameter a2,2 is twice as large as a(1,1).The calculated structural properties of CdTeet and HgTeet compounds are in good agreement with available experimental and theoretical data.Based on the electronic properties, we observe that the CdTeet and HgTeet materials and their superlattices have the direct band gap value.

Autorentext

Bekheira Samir, nascido a 14 de junho de 1986 em Mediouna, província de Relizane (Argélia), é doutorado em ciências (com especialização em física), título obtido em 2021 pela Escola Politécnica Nacional de Oran. Tem mais de 17 anos de experiência no ensino da física.