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Spin-Hamiltonian parameters and lattice distortions around 3dn impurities

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Optical Properties of 3d-Ions in Crystals: Spectroscopy and Crystal Field Analysis

Abstract

There are two methods ofcalculationsof the spin-Hamiltonian parameters for 3dn ions in crystals. The first one is the perturbation theory method (PTM) and the second one is the complete diagonalization of energy matrix method (CDM). Based mainly on these calculated methods, the defect properties related to the defect structures of some 3dn impurity centers in crystals, including the defect model, the local compressibility and local thermal expansion coefficient of 3dn impurity centers, the substitutional sites for 3dn impurities and the local phase transition behavior for 3dn impurity centers in ABX3-type perovskites, are obtained.

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  1. Department of Material Science, Sichuan University, Wangjiang Road 29, Chengdu, 610064, People’s Republic of China

    W. C. Zheng

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  1. Department of Physics, West University of Ti-misoara, Bd. V. Parvan No. 4, 300223, Timi-soara, Romania

    Nicolae M. Avram

  2. Institute of Physics, University of Tartu, Riia 142, Tartu, 51014, Estonia

    Mikhail G. Brik

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Zheng, W.C. (2013). Spin-Hamiltonian parameters and lattice distortions around 3dn impurities. In: Avram, N.M., Brik, M.G. (eds) Optical Properties of 3d-Ions in Crystals: Spectroscopy and Crystal Field Analysis. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-30838-3_4

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