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- Title
Ab initio study of structural, electronic, magnetic and optical properties of Ti-doped ZnTe and CdTe.
- Authors
Amine Monir, M. El; Baltache, H.; Murtaza, G.; Khenata, R.; Omran, S. Bin; Uğur, Ş.; Benalia, S.; Rached, D.
- Abstract
The full potential linearized augmented plane wave method within the framework of density functional theory (DFT) is employed to investigate the structural, magnetic, electronic and optical properties of Ti-doped ZnTe and CdTe in the zinc blende phase. In this approach the local spin density approximation (LSDA) is used for the exchange-correlation (XC) potential. Results are provided for the lattice constant, bulk modulus, pressure derivative, magnetic moment, band structure, density of states and refractive indices. Our results are compared with other theoretical works and good agreement is shown.
- Subjects
ELECTRIC properties of metals; MAGNETIC properties of metals; TITANIUM; OPTICAL properties of metals; ZINC telluride; CADMIUM telluride; AB initio quantum chemistry methods; MOLECULAR structure; DOPED semiconductors
- Publication
International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2014, Vol 28, Issue 11, p1
- ISSN
0217-9792
- Publication type
Article
- DOI
10.1142/S0217979214500805