量子电子学报, 2011, 28 (2): 218, 网络出版: 2011-03-28  

Nd3+Gd3Ga5O12单晶的能级和晶体场计算

Energy levels and crystal-field calculation for Nd3+ in Gd3Ga5O12 single crystal
作者单位
1 中国科学院安徽光学精密机械研究所,安徽省光子器件与材料重点实验室, 安徽 合肥 230031
2 中国科学院研究生院,北京10049
3 中国科学技术大学物理系,安徽 合肥 230026
摘要
测试了Nd3+:GGG单晶在可见和近红外波段的吸收光谱,并分析指认了它的实验能级,通过从头计算的DV-Xα方法计算得到了它的晶体场参数和旋轨耦合参数。 用Nd3+:GGG在77 K和300 K的156个、88个实验能级,拟合了它的自由离子参数和晶体场参数,均方根误差(即拟合精度)σ分别为15.79 cm-1和 11.48 cm-1。结果表明晶体场参数的拟合结果和从头计算值符合的很好。最后比较了拟合得到的Nd3+:GGG和已报道Nd3+:YAG 的自由离子参数和晶体场参数。
Abstract
The absorption spectrum of Nd3+ions doped into Gd3 Ga5 O12 (GGG) single crystal was analyzed in the visible and near infrared region. Its crystal-field and spin-orbit parameters were calculated with the DV-Xα method, which belongs to an abinitio calculation. Meanwhile, its free-ions and crystal-field parameters were also been fitted to the experimental energy levels in 300 K and 77 K with the root mean square deviation of 15.79 cm-1 and 11.48 cm-1, respectively. According to the crystal-field calculations, 156 levels of Nd3+ions in 77 K and 88 levels of Nd3+ions in 300 K were assigned. The results indicated that the fitted and calculated crystal-field parameters by DV-Xα are consistent very well. Finally, the fitting results of free-ions and crystal-field parameters are compared with those already reported for Nd3+:YAG.

高进云, 张庆礼, 胡流森, 闻军, 夏上达, 郭常新, 殷绍唐. Nd3+Gd3Ga5O12单晶的能级和晶体场计算[J]. 量子电子学报, 2011, 28(2): 218. GAO Jin-yun, ZHANG Qing-li, HU Liu-sen, WEN Jun, XIA Shang-da, GUO Chang-xin, YIN Shao-tang. Energy levels and crystal-field calculation for Nd3+ in Gd3Ga5O12 single crystal[J]. Chinese Journal of Quantum Electronics, 2011, 28(2): 218.

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