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The anisotropic g factors g(parallel to) and g(perpendicular to) of La(2)Nia(0.5)Li(0.5)O(4) are theoretically investigated using the perturbation formulae of they factors for a low spin (S = 1/2) 3d(7) ion in tetragonally elongated octahedra. The studied Ni3+(3d(7)) center arises from the original Ni2+ capturing one hole by Li+ doping. The positive anisotropy Delta g (= g(perpendicular to) - g(parallel to)) can be ascribed to the lowest (2)A(1g) state due to the obvious (about 0.14 angstrom) tetragonal elongation of the oxygen octahedron around the Ni3+ site via the Jahn-Teller effect, and the effective magnetic moment is also interpreted in a uniform way. The calculated results show good agreement with the experimental data, and the imperfection of the previous studies based on various adjusted tetragonal energy splittings without correlating to the local structure of the magnetic center is thus overcome in this work.

Investigations on the Anisotropic g Factors of the Ni3+Site in La2Ni0.5Li0.5O4