2H and 47, 49Ti nuclear magnetic resonance in the γ phase of titanium deuterides TiD x

Abstract

Titanium deuterides TiD1.92, TiD1.98, and TiD2.0 have been studied by 2H and 47, 49Ti NMR in a magnetic field of 7.04 T and a temperature range of 120–500 K. At all temperatures and compositions, the 2H NMR line is a singlet described by the Gaussian function. The contribution of demagnetizing fields to the 2H NMR shift is ∼50 ppm. The titanium NMR spectra for all compositions comprise two signals due to the 47Ti and 49Ti isotopes. The shift between these signals depends on the deuterium content and temperature. The 47, 49Ti NMR line shape, width, and shifts have been considered in the framework of second-order quadrupole effects for a tetragonal lattice distortion and random distribution of vacancies. The Knight shifts σ(2H) and K(47, 49Ti) are a function of temperature with a clearly pronounced singularity at ∼300 K. The contact, orbital, and polarization contributions to the Knight shifts have been estimated from analysis of the temperature dependences of σ(2H) and K(47, 49Ti).