Studies of Knight Shifts and Hyperfine Structure Constants of Tl₂Ba₂CuO_6+y

Abstract

The Knight shifts and hyperfine structure constants of Tl2Ba2CuO6+yare theoretically studied from the high order perturbation formulas of these quantities for a tetragonally elongated octahedral 3d9cluster. The calculation results reveal good agreement with the observed values. The obvious anisotropies of the Knight shifts can be ascribed to the local tetragonal elongation of the Cu2+site. The results and the local structure of the system are discussed.