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Structure, first-principles calculations and yellow spectral properties of Dy3+: CaLaGa3O7 single crystal
Journal of Luminescence ( IF 3.3 ) Pub Date : 2021-04-20 , DOI: 10.1016/j.jlumin.2021.118122
Yunyun Liu , Fei Pan , Chaoyang Tu , Ju Gao

High optical quality Dy3+-doped CaLaGa3O7 (abbreviated as Dy: CLGO below) crystal was grown successfully by the Czochralski technique along the (0 0 1) orientation. The lattice parameters of the as-grown crystal were obtained by Rietveld refinement to its XRD pattern. The electronic structures including band structure and density of state (DOS) were calculated by using first-principles calculations based on density functional theory (DFT). The spectroscopic characteristics of Dy: CLGO are investigated, with special attention to the yellow emission that could be pumped directly by the rapidly developed blue GaN LD. Based on the Judd-Ofelt (J-O) theory, the intensity parameters from the measured line strengths were determined. The J-O parameters were used to predict radiative transition probabilities, radiative lifetime and branching ratios for various excited levels of the Dy: CLGO crystal. The absorption cross-sections of Dy: CLGO at 453 nm are calculated to be 0.14 × 10−20 cm2 and 0.11 × 10−20 cm2 for π- and σ-polarizations, respectively. Meanwhile, Dy: CLGO exhibits strong yellow emission at 574 nm corresponding to the transition 4F9/2 → 6H13/2 with stimulated emission cross-sections of 3.88 × 10−21 cm2 and 3.42 × 10−21 cm2 for π- and σ-polarizations, respectively. The relatively long fluorescence lifetime (565 μs) indicates a high laser efficiency of the crystal. All results suggest that Dy: CLGO crystal could be a promising candidate for yellow laser at 574 nm pumped by blue GaN LD.



中文翻译:

Dy 3+:CaLaGa 3 O 7单晶的结构,第一性原理计算和黄色光谱性质

高光学质量Dy 3+掺杂的CaLaGa 3 O 7(以下简称为Dy:CLGO)晶体通过Czochralski技术沿(0 0 1)方向成功生长。通过Rietveld细化到XRD图案,获得了刚生长的晶体的晶格参数。通过基于密度泛函理论(DFT)的第一性原理计算,计算出包括能带结构和态密度(DOS)在内的电子结构。对Dy:CLGO的光谱特性进行了研究,并特别注意快速发展的蓝色GaN LD可以直接泵浦的黄色发射。基于Judd-Ofelt(JO)理论,根据测得的线强度确定强度参数。JO参数用于预测Dy的各种激发能级的辐射跃迁几率,辐射寿命和支化比:CLGO水晶。Dy:CLGO在453 nm处的吸收截面经计算为0.14×10π极化和σ极化分别为-20  cm 2和0.11×10 -20  cm 2。同时,镝:CLGO表现出574纳米的对应于过渡强黄色发射4 ˚F 9/2  →  6 ħ 13/2具有3.88×10受激发射横截面-21 厘米2和3.42×10 -21 厘米2为分别是π极化和σ极化。较长的荧光寿命(565μs)表明晶体具有较高的激光效率。所有结果表明,Dy:CLGO晶体可能是蓝GaN LD泵浦的574 nm黄色激光的有前途的候选者。

更新日期:2021-04-22
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