Nd3+:Gd3Ga5O12单晶的能级和晶体场计算

J4 ›› 2011, Vol. 28 ›› Issue (2): 218-229.

• 第二届全国光学青年学术论坛论文选登 • 上一篇下一篇

Nd³⁺:Gd₃Ga₅O₁₂单晶的能级和晶体场计算

高进云^1，2 张庆礼¹ 胡流森³ 闻军³ 夏上达³ 郭常新³ 殷绍唐¹

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

出版日期:2011-03-28 发布日期:2011-03-03
通讯作者: 张庆礼（1973-），研究员，博士生导师，主要从事光学晶体生长及其性能研究。 E-mail:zql@aiofm.ac.cn
作者简介:高进云（1985-），山西宁武人，博士研究生，主要从事稀土发光材料的制备、表征以及计算的研究。E-mail: jygao1985@sohu.com
基金资助:
National Natural Science Foundation of China (50772112, 50872135, 50932005), Knowledge Innovation Program of the Chinese Academy of Sciences(YYYJ-1002)

Energy levels and crystal-field parameter calculation for Nd³⁺ in Gd₃Ga₅O₁₂single crystal

GAO Jin-Yun^1，2, ZHANG Qiang-Li¹, HU Liu-Sen³, WEN Jun³, XIA Shang-Da³, GUO Chang-Xin³, YAN Chao-Tang¹

1 Key Laboratory of Photonic Devices and Materials, Anhui Province, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China;
2 Graduate School of the Chinese Academy of Sciences, Beijing 10049, China;
3 Department of Physics, University of Science and Technology of China, Hefei, 230026, China

Published:2011-03-28 Online:2011-03-03
Supported by:
National Natural Science Foundation of China (50772112, 50872135, 50932005), Knowledge Innovation Program of the Chinese Academy of Sciences(YYYJ-1002)

摘要/Abstract

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-Xa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77K和300K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。

关键词: 晶体, Nd3+:GGG, DV-Xa方法, 能级, 晶体场参数

Abstract:

The absorption spectrum of Nd3+ ions doped into GGG single crystal was analyzed in the visible and near infrared region. Its crystal-field and spin-orbit parameters were calculated with the DV-Xa method, which belong to an ab initio calculation. Meanwhile, its free-ions and crystal-field parameters were also fitted to the experimental energy levels in 300K and 77K with the root mean square deviation (σ) of 15.79cm^-1 and 11.48 cm^-1, respectively. According to the crystal-field calculations, 156 levels of Nd3+ ions in 77K and 88 levels of Nd3+ ions in 300K have been assigned. The results indicated that the fitted and calculated crystal-field parameters by DV-Xa are consistent very well. Finally, the fitting results of free-ions and crystal-field parameters are compared with those already reported for Nd3+:YAG.

Key words: crystal, Nd3+:GGG, DV-Xa method, energy levels, crystal-field parameters

中图分类号:

O482

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]. J4, 2011, 28(2): 218-229.

GAO Jin-Yun, ZHANG Qiang-Li, HU Liu-Sen, WEN Jun, JIA Shang-Da, GUO Chang-Xin, YAN Chao-Tang. Energy levels and crystal-field parameter calculation for Nd³⁺ in Gd₃Ga₅O₁₂single crystal[J]. J4, 2011, 28(2): 218-229.

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Nd³⁺:Gd₃Ga₅O₁₂单晶的能级和晶体场计算

Energy levels and crystal-field parameter calculation for Nd³⁺ in Gd₃Ga₅O₁₂single crystal

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