Elastic properties of sub-stoichiometric titanium carbides: Comparison of FP-LMTO calculations and experimental results

Abstract

Sub-stoichiometric titanium carbides TiC 0.26, TiC 0.49 and TiC 0.78 have been synthesized by multiple energy ion implantation at the surface of pure titanium. Young’s modulus and bulk modulus have been determined by nanoindentation as well as lattice parameter by X-ray diffraction. Self consistent full potential-linear muffin tin orbital (FP-LMTO) calculation with empty spheres in place of the missing carbon atoms give the corresponding bulk modulus and lattice parameter values. Good agreement was observed between experimental and theoretical values.