Structural and electronic properties of zincblende phase of Tl
x
Ga1−x
As
y
P1−y
quaternary alloys: First-principles study |
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Authors: | Sinem E Gulebaglan Emel K Dogan Murat Aycibin Mehmet N Secuk Bahattin Erdinc Harun Akkus |
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Institution: | 1. Physics Department, Faculty of Sciences, Yüzüncü Y?l University, 65080, Van, Turkey
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Abstract: | Using the first-principles band-structure method, we have calculated the structural and electronic properties of zincblende TlAs, TlP, GaAs and GaP compounds and their new semiconductor Tl x Ga1?x As y P1?y quaternary alloys. Structural properties of these semiconductors are obtained with the Perdew and Wang local-density approximation. The lattice constants of Tl x Ga1?x As, Tl x Ga1?x P ternary and Tl x Ga1?x As y P1?y quaternary alloys were composed by Vegard’s law. Our investigation on the effect of the doping (Thallium and Arsenic) on lattice constants and band gap shows a non-linear dependence for Tl x Ga1?x As y P1?y quaternary alloys. The band gap of Tl x Ga1?x As y P1?y , E g (x, y) concerned by the compositions x and y. To our awareness, there is no theoretical survey on Tl x Ga1?x As y P1?y quaternary alloys and needs experimental verification. |
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