Determination of charge-compensated C3v (Ⅱ) centers for Er3+ ions in CdF2 and CaF2 crystals

被引:0
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作者
柴瑞鹏 [1 ]
郝丹辉 [2 ]
高当丽 [1 ]
庞庆 [1 ]
机构
[1] College of Science, Xi'an University of Architecture and Technology
[2] Xi'an University of Architecture and Technology Huaqing College
基金
中国国家自然科学基金;
关键词
D O I
暂无
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
A unified theoretical method is established to determine the charge-compensated C3 v(Ⅱ) centers of Er3+ions in CdF2and CaF2crystals by simulating the electron paramagnetic resonance(EPR) parameters and Stark energy levels.The potential(Er3+-F~--O42-) and(Er3+-F7~--O2-) structures for the O3 v(Ⅱ) centers of Er3+ions in CdF2and CaF2crystals are checked by diagonalizing 364×364 complete energy matrices in the scheme of superposition model.Our studies indicate that the C3 v(Ⅱ) centers of Er3+ions in CdF2and CaF2may be ascribed to the local(Er3+-F~--O42-) structure,where the upper ligand ion F~-undergoes an off-center displacement by ΔZ≈0.3 A for CdF2and ΔZ≈0.29 A for the CaF2along the C3axis.Meanwhile,a local compressed distortion of the(ErFO4)6-cluster is expected to be ΔR≈0.07 A for CdF2:Er3+and ΔR≈0.079 A for CaF2:Er3+.The considerable g-factor anisotropy for Er3+ions in each of both crystals is explained reasonably by the obtained local parameters.Furthermore,our studies show that a stronger covalent effect exists in the C3 v(Ⅱ) center for Er3+in CaF2or CaF2,which may be due to the stronger electrostatic interaction and closer distance between the central Er3+ion and ligand O2-with the(Er3+-F~--O42-) structure.
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页码:537 / 543
页数:7
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