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

M.Q. Kuang, S.Y. Wu, Z.H. Zhang and B.T. Song School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054, P. R. China

Received: June 1, 2011

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The anisotropic g factors g∥ and g⊥ of La2Ni0.5Li0.5O4 are theoretically investigated using the perturbation formulae of the g factors for a low spin (S=1/2) 3 d7 ion in tetragonally elongated octahedra. The studied Ni3+ (3 d7) center arises from the original Ni2+ capturing one hole by Li+ doping. The positive anisotropy Δ g (= g⊥-g∥) can be ascribed to the lowest 2 A1g state due to the obvious (about 0.14 Å) 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.

DOI: 10.12693/APhysPolA.123.734 PACS numbers: 76.30.Fc, 71.70.Ch, 75.10.Dg