Solid solution hardening of vacancy stabilized Ti W1−B2

We present a combined experimental and theoretical investigation of sputter deposited thin films in the ternary system Ti1−xWxB2. Solid solutions of Ti1−xWxB2−z were prepared by physical vapor deposition (PVD) and, over the whole composition range, found to crystallize in the AlB2 structure type. The obtained films exhibit good thermal stability and high hardness, evidencing a maximum value of almost 40 GPa for Ti0.67W0.33B2−z. The effect of vacancies on stabilization and mechanical properties of the AlB2 structure type is discussed, using ab initio simulations. Based on our results, we can conclude that vacancies are crucial for the phase stability of PVD deposited Ti1−xWxB2−z coatings.