Static Atomic Displacements Resulting from Vacancies in Defect Structures TiNx□1—x

Abstract

Both static atomic displacements (resulting from vacancies) and vibration amplitudes, were measured in specimens having the compositions TiN_0.59, TiN_0.78, and TiN_0.95. The static displacements for titanium (and nitrogen) in the first two specimens were about 5.5% of the first neighbor distance and were comparable to the dynamic displacements at 250°C. Static displacements were not observed for TiN_0.95. The specimen of intermediate nitrogen concentrations, TiN_0.78, had smaller dynamic displacements and thermal expansions than the other two specimens, indicating the existence of a minimum in these thermal properties.