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Abstract <p>The crystal field and zero field splitting parameters of the Mn<sup>2+</sup> infused MgCs<sub>2</sub>(SO<sub>4</sub>)<sub>2</sub>·6H<sub>2</sub>O (MCS) single crystals are modeled using the superposition model. The evaluated parameters are consistent with those from EPR. The result of EPR experiment that the Mg<sup>2+</sup> site is occupied by the Mn<sup>2+</sup> ion in MCS is confirmed. Programs for crystal field analysis and crystal field parameters are used to obtain optical spectra of the crystal. A good correspondence is seen with the positions of the experimental bands. As a result, theoretical computation verifies the observations of experiment.</p>

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Crystal-Field Energy Levels and Zero Field Splitting Parameters Modeling for Mn2+ Infused Single Crystals of Mg Cs2(SO4)2·6H2O

  • 期刊论文

  • 发表日期：

    2025年12月1日

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  • Maroj Bharati,
  • Vikram Singh,
  • Ram Kripal

摘要

Abstract

The crystal field and zero field splitting parameters of the Mn2+ infused MgCs2(SO4)2·6H2O (MCS) single crystals are modeled using the superposition model. The evaluated parameters are consistent with those from EPR. The result of EPR experiment that the Mg2+ site is occupied by the Mn2+ ion in MCS is confirmed. Programs for crystal field analysis and crystal field parameters are used to obtain optical spectra of the crystal. A good correspondence is seen with the positions of the experimental bands. As a result, theoretical computation verifies the observations of experiment.