Theoretical Investigations of the Spin Hamiltonian Parameters and the Local Structure of a Trigonal Co2+ Center in Bi4Ge3O12
Keyword(s):
The spin Hamiltonian parameters anisotropic g factors g||, g⊥ and hyperfine structure constants A||and A⊥, as well as the local structure of the trigonal Co2+ center in Bi4Ge3O12 (BGO) are theoreticallyinvestigated by the perturbation formulas of the spin Hamiltonian parameters for a 3d7 ion intrigonal symmetry, based on the cluster approach. It is found that the impurity Co2+ substituting thehost Bi3+ undergoes an off-center displacement ΔZ(≈ −0.132 Å ) away from the center of the oxygenoctahedron along the C3 axis. The spin Hamiltonian parameters based on the above displacementshow reasonable agreement with the observed values. The results are discussed.
2004 ◽
Vol 59
(12)
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pp. 943-946
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Vol 22
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pp. 1381-1387
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pp. 191-197
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2013 ◽
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pp. 2518-2522
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2006 ◽
Vol 61
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pp. 583-587
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2005 ◽
Vol 60
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pp. 145-148
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