Ab Initio Study of The Structural, Electronic And Optical Properties of ZnTe Compound
| Affiliation auteurs | !!!! Error affiliation !!!! |
| Titre | Ab Initio Study of The Structural, Electronic And Optical Properties of ZnTe Compound |
| Type de publication | Conference Paper |
| Year of Publication | 2015 |
| Auteurs | Bahloul B., Deghfel B., Amirouche L., Bentabet A., Bouhadda Y., Bounab S., Fenineche N. |
| Editor | Oral AY, Bahsi ZB, Ozer M, Sezer M, Akoz ME |
| Conference Name | 4TH INTERNATIONAL CONGRESS IN ADVANCES IN APPLIED PHYSICS AND MATERIALS SCIENCE (APMAS 2014) |
| Publisher | AMER INST PHYSICS |
| Conference Location | 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA |
| ISBN Number | 978-0-7354-1295-8 |
| Mots-clés | Ab initio calculations, Electronic properties, Optical constants |
| Résumé | Structural, electronic and optical properties of ZnTe compound were calculated using Density Functional Theory (DFT) based on the pseudopotentials and planewaves (PP-PW) method as implemented in the ABINIT computer code, where the exchange-correlation functional is approximated using the local density approximation (LDA) and the generalized gradient approximation (GGA). The obtained results from either LDA or GGa calculation for lattice parameter, energy band gap and optical parameters, such as the fundamental absorption edge, the peaks observed in the imaginary part of the dielectric function, the macroscopic dielectric constants and the optical dielectric constant, are compared with the available theoretical results and experimental data. |
| DOI | 10.1063/1.4914210 |