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测试了Nd~(3+):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Nd~(3+):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Nd~(3+):GGG和已报道Nd~(3+):YAG的自由离子参数和晶体场参数。
The absorption spectra of Nd ~ (3 +): GGG single crystal in the visible and near-infrared bands were tested and its experimental energy level was analyzed and identified. Its crystal field parameters were calculated by de novo calculation of DV-Xα method Rail coupling parameters. The free ion parameters and crystal field parameters of Nd ~ (3 +): GGG at 156 and 88 experimental levels of 77 K and 300 K were fitted, and the root mean square error (ie, fitting accuracy) σ 15.79 cm -1 and 11.48 cm -1. The results show that the fitting results of the crystal field parameters are in good agreement with the ab initio calculations. Finally, the free ion parameters and the crystal field parameters of Nd ~ (3 +): GGG and reported Nd ~ (3 +): YAG were compared.