ENDOR investigation of tetragonal Ni+centres in CaF2

Abstract
A tetragonal Ni+ centre in CaF2 is investigated by electron nuclear double resonance (ENDOR). The off-centre position of the defect is confirmed and the superhyperfine (SHF) interactions for shells 2-7 are reported. For shells 2-6 the isotropic SHF constant a and the anisotropic SHF constant b are of different sign and b is smaller than what was calculated for a classical point dipole-dipole interaction. The SHF constants are interpreted by taking into consideration the influence of polarisation effects on the lattice neighbour orbitals, which are in a nodal plane with respect to the NN F- 2p orbitals.

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