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

• Authors: Sinem Gulebaglan , Emel Dogan , Murat Aycibin , Mehmet Secuk , Bahattin Erdinc , Harun Akkus
• Languages of publication: EN

Abstracts

EN

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.

Keywords

EN

density functional theory; electronic structure of disordered solids; electron density of states and band structure of crystalline solids

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2013
• Volume: 11
• Issue: 12
• Pages: 1680-1685

Dates

published

1 - 12 - 2013

online

20 - 12 - 2013

Contributors

author

Sinem Gulebaglan

• Physics Department, Faculty of Sciences, Yüzüncü Yıl University, 65080, Van, Turkey

author

Emel Dogan

• Physics Department, Faculty of Sciences, Yüzüncü Yıl University, 65080, Van, Turkey

author

Murat Aycibin

• Physics Department, Faculty of Sciences, Yüzüncü Yıl University, 65080, Van, Turkey

author

Mehmet Secuk

• Physics Department, Faculty of Sciences, Yüzüncü Yıl University, 65080, Van, Turkey

author

Bahattin Erdinc

• Physics Department, Faculty of Sciences, Yüzüncü Yıl University, 65080, Van, Turkey

author

Harun Akkus

• Physics Department, Faculty of Sciences, Yüzüncü Yıl University, 65080, Van, Turkey

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Identifiers

DOI

10.2478/s11534-013-0314-1