Investigation of vibration and superconductivity properties of vanadium carbide crystal

In this thesis, we have investigated structural, electronic, vibrational properties and temperature superconductivity of transition metal carbide VC by using the density functional theory. The density functional theory has been implemented within a generalised gradient approximation, using the Perdew-Burke-Ernzerhof method. The Kohn-Sham single-particle functions were expanded in a basis of plane waves. Self-consistent solutions of Kohn-Sham equations were obtained by sampling the irreducible part of the Brillouin zone by employing special k points. A kinetic energy cut off of 60 Ryd is used.The crystal structure of the material which was examined, was described in the first chapter of this thesis. In the second chapter, density functional theory, linear response technique, plane wave pseudo potential are summarized and the application of density functional theory to this material has been explained.In the third and fourth chapter of this thesis, we have presented our structural and electronic results for this material respectively.These results are also compared with corresponding previous theoretical and experimental studies in this chapter. In the last chapter, we have investigated vibrational characterization at high symmetry points, vibrational properties and temperature superconductivity of the material.