TiS₂相の非化学量論的特性と欠陥構造

抄録

The defect structure in the nonstoichiometric TiS₂ phase ranging 2 to 1.82 in atom ratio S/Ti has been studied in relation to the distribution of excess Ti atoms over the stoichiometric composition TiS_2.00.
From the measurement of the density, lattice constant and X-ray intensity ratio as a function of S/Ti, it is found that there are 2.7% vacancies at the (0 0, 0) site of the Ti-sublattice and the same amount of Ti atoms at the interstitial position (0 0, 1/2) for the stoichiometric composition, and the occupation of these two sorts of sites by the excess Ti depends upon the Ti concentration. The (0 0, 0) sites in the range S⁄Ti>1.9 and the (0 0, 1/2) sites in the range S⁄Ti<1.9 are mostly occupied by the excess Ti.
The problem of the lattice bonding is discussed in relation to the above defect structure.