Browsing by Author "Gulebaglan, Sinem E."

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Physical Properties of Rbau Compound
(Elsevier Science Bv, 2014) Aycibin, Murat; Dogan, Emel Kilit; Gulebaglan, Sinem E.; Secuk, M. Nurullah; Erdinc, Bahattin; Akkus, Harun
In this paper, we investigated electronic, optic, elastic, dynamic and thermodynamic properties of RbAu compound by density functional theory within the generalized gradient approximation. The calculated static value of real part of dielectric constant is 6.7. The calculated electronic band structure of RbAu shows that RbAu is a semiconductor with an indirect band gap of 0.36 eV. Besides, RbAu obeys mechanical stability and it demonstrates elastic anisotropy. 540K is classical limit for specific heat of RbAu. (C) 2014 The Authors. Published by Elsevier B.V.
Structural and Electronic Properties of Zincblende Phase of Tl X Ga1-X as Y P1-Y Quaternary Alloys: First-Principles Study
(Sciendo, 2013) Gulebaglan, Sinem E.; Dogan, Emel K.; Aycibin, Murat; Secuk, Mehmet N.; Erdinc, Bahattin; Akkus, Harun
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.