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Investigation of the Spin-Hamiltonian Parameters and the Local Structure of Ni2+ Ions in CsMgX3

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Investigation of the Spin-Hamiltonian Parameters and the Local Structure of Ni

2+

Ions in CsMgX

3

(X = Cl, Br, I) Crystals

Qun Wei

Department of Physics, Baoji University of Arts and Science, Baoji 721007, P.R. China Reprint requests to Q. W.; E-mail: weiaqun@163.com

Z.Naturforsch.63a,188 – 192 (2008); received September 17, 2007

Taking into account spin-spin (SS), spin-other-orbit (SOO), and orbit-orbit (OO) interactions in addition to general spin-orbit (SO) interactions, the local structures of Ni2+in CsMgX3 (X = Cl, Br, I) are theoretically investigated by using the complete diagonalization method (CDM).On this basis, it is found that the local angles, at the Ni2+centres are larger than those, at the hosts.The contributions to the spin-Hamiltonian parameters from spin triplets and slight magnetic interactions are discussed.

Key words:Spin-Hamiltonian Parameters; Local Structure; Ni2+; CsMgX3(X = Cl, Br, I).

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