Abstract
The phase stability of Al-containing cubic transition metal (TM) nitrides, where Al substitutes for TM (i.e. TM1−xAlxN), is studied as a function of the TM valence electron concentration (VEC). X-ray diffraction and thermal analyses data of magnetron sputtered Ti1−xAlxN, V1−xAlxN and Cr1−xAlxN films indicate increasing phase stability of cubic TM1−xAlxN at larger Al contents and higher temperatures with increasing TM VEC. These experimental findings can be understood based on first principle investigations of ternary cubic TM1−xAlxN with TM = Sc, Ti, V, Cr, Y, Zr and Nb where the TM VEC and the lattice strain are systematically varied.However, our experimental data indicate that, in addition to the decomposition energetics (cubic TM1−xAlxN → cubic TMN + hexagonal AlN), future stability models have to include nitrogen release as one of the mechanisms that critically determine the overall phase stability of TM1−xAlxN.
Published Version
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