Comparative analysis of physical properties of some binary transition metal carbides XC (X = Nb, Ta, Ti): Insights from a comprehensive ab-initio study

Binary metallic carbides belong to a technologically prominent class of materials. We have explored the structural, mechanical, electronic, optical, and some thermophysical properties of XC (X = Nb, Ta, Ti) binary metallic carbides in details employing first-principles method. Some of the results obtained are novel. A comparative analysis has been made.