Electronic structure and optical properties of Sb2S3 crystal |
| |
| Authors: | T. Ben Nasr H. Maghraoui-MeherziH. Ben Abdallah R. Bennaceur |
| |
| Affiliation: | a Laboratoire de Physique de la Matière Condensée, Faculté des Sciences de Tunis, Campus Universitaire, 2092 Tunis El Manar, Tunisie
b Laboratoire de Chimie Analytique et Electrochimie, Faculté des Sciences de Tunis, Campus Universitaire, 2092 Tunis El Manar, Tunisie |
| |
| Abstract: | The electronic and optical properties of Sb2S3 are studied using the full potential linearized augmented plane wave (FP-LAPW) method as implemented in Wien2k. In this approach, the alternative form of the generalized gradient approximation (GGA) proposed by Engel and Vosko (EV-GGA) was used for the exchange correlation potential. The calculated band structure shows a direct band gap. The contribution of different bands was analyzed from total and partial density of states curves. Moreover, the optical properties, including the dielectric function, absorption spectrum, refractive index, extinction coefficient, reflectivity and energy-loss spectrum are all obtained and analyzed in detail. |
| |
| Keywords: | DFT GGA FP-LAPW Semiconductors Electronic structure Dielectric function Optical properties |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
