First-Principles Study on Elastic Properties and Electronic Structure of Ti_1-xAl_xN

Abstract

As excellent performance coating material, the TiAlN coating has become alternative to TiN coating, with a very broad application prospects. We calculated the lattice constants, elastic parameters, electronic constants of Ti1-xAlxN. Its elastic constants trend was downward as the Al element contents increasing, and its brittleness fell. We had analysed the band structure and density of states of TiA1N, and TiA1N was illustrated to be conductor.