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A theoretical analysis of zero-field splitting parameters of Mn 2+ doped dicadmium diammonium sulfate Cd2(NH 4)2(SO4)3 single crystal

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2011

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The superposition model (SPM) and crystallographic data are utilized to determine the zero-field splitting (ZFS) parameters (ZFSPs) for Mn2+ ions in Cd<inf>2</inf>(NH<inf>4</inf>)<inf>2</inf>(SO<inf>4</inf>)<inf>3</inf> single crystal, assuming that the Mn2+ ions locate at either Cd 2+ or NH4+ site. The SPM results has been verified by the fourth-order perturbation formulae analysis. Experimental suggestions about Mn2+ ions substituting at Cd2+ sites have been confirmed theoretically for the first time. © 2011 Elsevier B.V. All rights reserved. © 2011 Elsevier B.V., All rights reserved.

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