光学学报, 2001, 21 (12): 1501, 网络出版: 2006-08-10
Ce:YIG光吸收谱的微观机理及理论计算
Microscopic Mechanism of Optical Absorption and Theoretical Calculation of the Spectra in Ce:YIG Film [英文摘要]
光吸收 微观机理 电子跃迁 离散变分-Xα方法 Ce:YIG Ce:YIG optical absorption microscopic mechanism electronic transition discrete variational Xα method
摘要
利用离散变分-Xα方法,对Ce:YIG的电子结构进行了计算,结果显示,由于Ce3+的掺入,在Ce3+的5d、4f电子以及Fe3+的3d电子之间形成了自旋-轨道劈裂较大的杂化轨道,同时存在Fe3+(3d)→Ce3+(4f)的电子跃迁,它们对光吸收有重要的贡献,可能是1.45eV和2.1 eV两个跃迁中心的来源,与此相关的跃迁中心数与Ce3+离子的浓度成正比,在1.0 eV～3.2eV范围内,对不同的掺Ce量的光吸收谱进行了计算,结果与实验符合较好.
Abstract
The electronic structure of Ce:YIG is calculated by using DV Xα (discrete variational Xα)method. The results indicate that the couple orbits among 5d, 4f, and 3d orbits are existent because of the substitution of Ce 3+ ion. The couple orbits have large spin orbit interaction. The results also show that there are electronic transitions Fe 3+ (3d) →Ce 3+ (4f) that may be the origin of transition centers of 1.5 eV and 2.1 eV shown the large optical absorption. The density of transition center is proportional to cerium content. The optical absorption spectra of Y 3-x Ce x Fe 5O 8 on x=0, 0.3, 0.7, 1.0, 2.0 are calculated between 1.0 eV～3.2 eV. The calculated results are consistent with experimental data.
胡华安, 何华辉, 梅延玲, 王邦中. Ce:YIG光吸收谱的微观机理及理论计算[J]. 光学学报, 2001, 21(12): 1501. 胡华安, 何华辉, 梅延玲, 王邦中. Microscopic Mechanism of Optical Absorption and Theoretical Calculation of the Spectra in Ce:YIG Film [英文摘要][J]. Acta Optica Sinica, 2001, 21(12): 1501.
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