Browsing by Author "Çiftçi, Yasemin"
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Ab initio study of structural, elastic and vibrational properties of praseodymium chalcogenides
Koçak, Belgin; Çiftçi, Yasemin; Colakoğlu, Kemal; Deligöz, Engin (Elsevier Science Bv, 2011)The plane-wave pseudopotential approach to the density-functional theory within the GGA approximation implemented in Vienna Ab-initio Simulation Package (VASP) code have been used to calculate structural, elastic and lattice ... -
A first–principles studies on TlX (X=P, As)
Çiftçi, Yasemin; Çolakoğlu, Kemal; Deligöz, Engin (Versita, 2008)We present an ab initio study of the structural, electronic and thermodynamic properties of TlX(X=P,As). The plane-wave pseudopotential approach to the density-functional theory within the LDA and GGA approximations ... -
Lattice dynamical calculations for the bcc cerium
Deligöz, Engin; Çiftçi, Yasemin; Çolakoğlu, Kemal (Elsevier, 2005)Lattice dynamical calculations are performed on cerium with bcc structure using the improved third-neighbor Clark–Gazis–Wallis (CGW) model. The theory has been applied to compute the dispersion curves, frequency spectra, ... -
Lattice dynamical calculations for the Ta–W alloys
Deligöz, Engin; Çolakoğlu, Kemal; Çiftçi, Yasemin (Elsevier, 2007)Lattice dynamical calculations are performed on Ta–W alloys with bcc structure in various concentrations. We assume ion–ion interaction through the improved third-neighbor Clark–Gazis–Wallis (CGW) model. The theory has ... -
The Structural, Elastic, Electronic and Thermodynamical Properties of CaBi: A First-Principles Study
Deligöz, Engin; Çolakoğlu, Kemal; Çiftçi, Yasemin (Boğaziçi University, 2008)We have studied some structural, thermo dynamical, elastic, and electronic properties of CaBi in non- magnetic states without spin polarization by performing ab initio calculations within the LDA approximations. The ...