Structural and electronic properties of zincblende phase of Tl x Ga1-x As y P1-y quaternary alloys: First-principles study

被引：14

作者：

Gulebaglan, Sinem E. ^{[1
]}

Dogan, Emel K. ^{[1
]}

Aycibin, Murat ^{[1
]}

Secuk, Mehmet N. ^{[1
]}

Erdinc, Bahattin ^{[1
]}

Akkus, Harun ^{[1
]}

机构：

[1] Yuzuncu Yil Univ, Fac Sci, Dept Phys, TR-65080 Van, Turkey

来源：

CENTRAL EUROPEAN JOURNAL OF PHYSICS | 2013年 / 11卷 / 12期

关键词：

density functional theory; electronic structure of disordered solids; electron density of states and band structure of crystalline solids; GROWTH; TEMPERATURE; PRESSURE; TLGAAS;

D O I：

10.2478/s11534-013-0314-1

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

引用

页码：1680 / 1685

页数：6

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