Propriétés structurales de TiC

Abstract

The titanium carbide has interesting properties which make it industrially and technologically important. With the WIEN2k simulation code, we have calculated the structural properties for TiC using the Linearized Augmented Plane Wave (LAPW) approach within the Density Functional Theory (DFT) in the Local Spin Density Approximation (LSDA). Lattice parameters and compressibility factors have been determined for TiC.