Browsing by Author "Parlak, Cihan"
Now showing items 1-15 of 15
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Ab initio Hartree-Fock and density functional theory study on characterization of 3-(5-methylthiazol-2-yldiazenyl)-2-phenyl-1H-indole
Büyükuslu, Halim; Akdoğan, Mustafa; Yıldırım, Gürcan; Parlak, Cihan (Pergamon-Elsevier Science Ltd, 2010)The optimized molecular structures, vibrational frequencies, corresponding vibrational assignments, thermodynamic properties, UV-vis spectra and atomic charges of 3-(5-methylthiazol-2-yldiazeny1)-2-phenyl-1H-indole molecule ... -
Ab initio pressure-dependent vibrational and dielectric properties of chalcopyrite CuAlS2
Parlak, Cihan; Eryiğit, Resul (Amer Physical Soc, 2004)We have performed an ab initio study of pressure-dependent lattice dynamical properties of chalcopyrite semiconductor CuAlS2. The calculations have been carried out within the local density functional approximation using ... -
Ab initio vibrational and dielectric properties of chalcopyrite CuInS2
Eryiğit, Recep; Parlak, Cihan; Eryiğit, Resul (Springer, 2003)We have performed a first-principles study of structural, dynamical, and dielectric properties of the chalcopyrite semiconductor CuInS2. The calculations have been carried out within the local density functional approximation ... -
Ab initio vibrational and dielectric properties of the chalcopyrite CuInSe2
Parlak, Cihan; Eryiğit, Resul (Amer Physical Soc, 2002)We have performed a first-principles study of structural, dynamical, and dielectric properties of the chalcopyrite semiconductor CuInSe2. The calculations have been carried out within the local density functional approximation ... -
Ab initio volume-dependent elastic and lattice dynamical properties of chalcopyrite CuGaSe2
Parlak, Cihan; Eryiğit, Resul (Amer Physical Soc, 2006)We report the results of a first principles study of volume-dependent elastic and lattice dynamical properties of chalcopyrite semiconductor CuGaSe2. The calculations have been carried out within density-functional ... -
Density functional theory study on the identification of 3-[(2-morpholinoethylimino)methyl]benzene-1,2-diol
Parlak, Cihan; Akdoğan, Mustafa; Yıldırım, Gürcan; Karagöz, Nurettin; Budak, Erhan; Terzioğlu, Cabir (Pergamon-Elsevier Science Ltd, 2011)This study deals with the identification of a title compound, 3-[(2-morpholinoethylimino)methyl]benzene-1,2-diol by means of quantum chemical calculations. The optimized molecular structures, vibrational frequencies and ... -
Elastic, electronic, lattice dynamical properties and electron-phonon interaction in the ternary superconductors Ba(GaGe) and Ba(GaSi)
Parlak, Cihan (Elsevier Science Bv, 2015)We report the results of an ab-initio study of electronic, and detailed lattice dynamical properties of superconducting materials, Ba(GaGe) and Ba(GaSi). The phonon dispersion curves along the high-symmetry directions and ... -
Elastic, electronic, lattice dynamical properties and electron-phonon interaction in the ternary superconductors Sr(GaGe) and Sr(GaSi) at high pressure
Parlak, Cihan (Elsevier, 2017)We report the results of an ab - initio study of electronic, and detailed lattice dynamical properties of superconducting materials, Sr(GaGe) and Sr(GaSi) under high pressure. The phonon dispersion curves along the ... -
Electronic and pressure dependent vibrational properties of silicide Sr(Ni0.5Si0.5)(2)
Parlak, Cihan (Elsevier Science Bv, 2012)We report a detailed ab initio study of the structural, electronic, and volume dependent elastic and lattice dynamical properties of Sr(Ni0.5Si0.5)(2). The calculations have been carried out within the local density ... -
Electronic band structure and volume-dependent lattice dynamical properties of superconductor Sr (AlGe)
Parlak, Cihan (Elsevier Science Bv, 2014)Ternary germanide Sr (AlGe) is a superconductor at 6.7 K. We report the results of an ab initio study of electronic, and detailed lattice dynamical properties of superconducting material. The calculations have been carried ... -
Experimental and theoretical studies on the identification of p-biphenyloxycarbonylphenyl acrylate
Çetin, Sedat; Yıldırım, Gürcan; Parlak, Cihan; Akdoğan, Mustafa; Terzioğlu, Cabir (Pergamon-Elsevier Science Ltd, 2011)This study presents the identification of a title compound, p-biphenyloxycarbonylphenyl acrylate by means of experimental and theoretical evidences. The spectroscopic properties of the compound were experimentally investigated ... -
First-principles electronic structure and lattice dynamics of the giant dielectric compound Na0.5Bi0.5Cu3Ti4O12
Parlak, Cihan; Eryiğit, Resul (IOP Publishing Ltd, 2008)We report the results of an ab initio study of electronic, dielectric, and lattice dynamical properties of high dielectric constant perovskite-derived oxide Na1/2Bi1/2Cu3Ti4O12. The calculations have been carried out within ... -
Intercalation of graphite and hexagonal boron nitride by lithium
Altıntaş, Bahadır; Parlak, Cihan; Bozkurt, C.; Eryiğit, Resul (Springer, 2011)Although graphite and hexagonal form of BN (h-BN) are isoelectronic and have very similar lattice structures, it has been very difficult to intercalate h-BN while there are hundreds of intercalation compounds of graphite. ... -
The physical properties of AlB2-type structures CaGa2 and BaGa2 : An ab-initio study
Parlak, Cihan (Elsevier, 2020)The fundamental characteristic features including the lattice parameters, electronic structures, elastic constants, and vibrational properties of di-galadies CaGa2 and BaGa2 materials were investigated by using first-principles ... -
Theoretical investigation of superconductivity in Ba(AlSn) under pressure
Parlak, Cihan (Elsevier Science Bv, 2016)The compound of Ba(AlSn) from ternary superconductors exhibits the superconductivity behaviour below the temperature 2.9 K. We report the results of an ab initio study based on electronic, and detailed lattice dynamical ...
