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BY-NC-ND 3.0 license Open Access Published by De Gruyter Open Access December 20, 2013

Structural and electronic properties of zincblende phase of TlxGa1−x AsyP1−y quaternary alloys: First-principles study

  • Sinem Gulebaglan EMAIL logo , Emel Dogan , Murat Aycibin , Mehmet Secuk , Bahattin Erdinc and Harun Akkus
From the journal Open Physics


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 TlxGa1−x AsyP1−y quaternary alloys. Structural properties of these semiconductors are obtained with the Perdew and Wang local-density approximation. The lattice constants of TlxGa1−x As, TlxGa1−x P ternary and TlxGa1−x AsyP1−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 TlxGa1−x AsyP1−y quaternary alloys. The band gap of TlxGa1−x AsyP1−y , E g(x, y) concerned by the compositions x and y. To our awareness, there is no theoretical survey on TlxGa1−x AsyP1−y quaternary alloys and needs experimental verification.

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Published Online: 2013-12-20
Published in Print: 2013-12-1

© 2013 Versita Warsaw

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