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中国物理学会期刊

KZnF3:Cr3+和KMgF3:Cr3+四角对称电子顺磁共振参量与晶格缺陷的研究

CSTR: 32037.14.aps.43.637

AN INVESTIGATION FOR THE EPR PARAMETERS AND THE CRYSTAL LATTICE DEFECTS OF THE TETRAGONAL SYMMETRY IN KZnF3:Cr3+ AND KMgF3:Cr3+

CSTR: 32037.14.aps.43.637
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  • 用Newman叠加模型研究了KZnF3:Cr3+四角对称基态的零场分裂,证实了Zn2+空位和畸变的存在;并指出,空位对晶场的贡献不可忽略。计算得到:KZnF3:cr3+晶体0,01方向的一个F-配体向Cr3+移动Δ(KZnF3)=0.0029-0.0043nm。还研究了KMgF3:Cr3+ 

    In this work, the ground state zero-field spitting of the tetragonal symmetry in KZnF3:Cr3+ has been studied using the Newman superposition model. The existence of Zn2+ -vacancy and the crystal lattice distortion has been verified. It is found that the contribution from the Zn2+-vacancy are non-negligible. Meanwhile, we obtain that the F- ion along 001 axis moves towards the central Cr3+ ion by Δ = 0.0029-0.0043nm. It has been verified also that the tetragonal center with D = - 0.2167cm-1 in KMgF3:Cr3+ is a CrOF5 cluster. To get agreement with the EPR experiment data it is necessary to introduce a contraction of the four fluorine ions in the plane perpendicular to the Cr3+-O2- axies pair, at the same time, the Cr3+ moves towards the O2- and the O2- moves towards the Cr3+ ion, but the displacement of the Cr3+ is larger than that O2- in CrOF5 cluster.

     

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