Application of the Energy-Dispersive X-ray diffraction method to determine static and dynamic displacements close to D in Ta single crystals

Abstract

The energy-dispersive X-ray diffraction method has been used to measure integrated Bragg intensities from TaDx single crystals as a function of D concentration and scattering vector. The observed attenuation can be described in terms of a thermal and a static Debye–Waller factor (DWF). From the static DWF, for small scattering vectors, the displacements u1 = 0.095 (5) Å of the four Ta atoms closest to the D atom are obtained and, for large scattering vectors, the change of the mean-square thermal displacement of these atoms Δv21 = −[5.5 (3)] × 10–4 Å2.