Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSb
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Elsevier B. V.
2011
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my.unimap-111102011-03-09T03:25:41Z Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSb Reshak, Ali Hussain Ouahrani, T. Khenata, R. Otero-de-la-Roza, A. Luana, V. Baltache, H. maalidph@yahoo.co.uk tarik_ouahrani@hotmail.com khenata_rabah@yahoo.fr Chalcopyrite Electronic properties FP-LAPW Linear and nonlinear optical properties Link to publisher's homepage at http://www.elsevier.com/ An ab initio study of the band structure, density of states, topology of the electron density and the spectral features of the linear and non-linear optical properties of the Ga2AsSb chalcopyrite are presented. The lattice parameters (a, c), the internal structure parameter, u, describing the position of Ga atom and the (c/a) ratio are optimized. The covalent bonding character is predicted via analyzing the electron density at the equilibrium geometry. The linear optical properties namely the real and imaginary parts of dielectric function, reflectivity, electron energy loss function and refractive index are calculated. This compound has a large uniaxial dielectric anisotropy and a large negative birefringence. Based on the density functional theory the non-linear optical properties are calculated and their spectra are analyzed. 2011-03-09T03:25:41Z 2011-03-09T03:25:41Z 2011-01 Article Computational Materials Science, vol. 50(3), 2011, pages 886-892 0927-0256 http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TWM-51G29WM-2-2M&_cdi=5566&_user=1659113&_pii=S0927025610005859&_origin=gateway&_coverDate=01%2F31%2F2011&_sk=999499996&view=c&wchp=dGLbVzW-zSkzS&md5=1a919ed0984326242a685ce949f2442a&ie=/sdarticle.pdf http://hdl.handle.net/123456789/11110 en Elsevier B. V. |
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Chalcopyrite Electronic properties FP-LAPW Linear and nonlinear optical properties |
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Chalcopyrite Electronic properties FP-LAPW Linear and nonlinear optical properties Reshak, Ali Hussain Ouahrani, T. Khenata, R. Otero-de-la-Roza, A. Luana, V. Baltache, H. Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSb |
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Link to publisher's homepage at http://www.elsevier.com/ |
| author2 |
maalidph@yahoo.co.uk |
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maalidph@yahoo.co.uk Reshak, Ali Hussain Ouahrani, T. Khenata, R. Otero-de-la-Roza, A. Luana, V. Baltache, H. |
| format |
Article |
| author |
Reshak, Ali Hussain Ouahrani, T. Khenata, R. Otero-de-la-Roza, A. Luana, V. Baltache, H. |
| author_sort |
Reshak, Ali Hussain |
| title |
Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSb |
| title_short |
Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSb |
| title_full |
Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSb |
| title_fullStr |
Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSb |
| title_full_unstemmed |
Density functional calculation for the first and second harmonic generation of the chalcopyrite Ga2AsSb |
| title_sort |
density functional calculation for the first and second harmonic generation of the chalcopyrite ga2assb |
| publisher |
Elsevier B. V. |
| publishDate |
2011 |
| url |
http://dspace.unimap.edu.my/xmlui/handle/123456789/11110 |
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13.222552 |