| 全谱项FeCO3基态能级与晶体结构 |
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| 引用本文： | 杨柳,徐丽燕,张斌.全谱项FeCO3基态能级与晶体结构[J].杭州电子科技大学学报,2008,28(3):16-19. |
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| 作者姓名： | 杨柳 徐丽燕 张斌 |
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| 作者单位： | 杭州电子科技大学电子信息学院,浙江,杭州,310018 |
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| 摘 要： | 在弱场图像下，利用Racah不可约张量算符方法得到了三角对称3d^4/6电子组态的210阶完全哈密顿矩阵。通过自编程序进行计算，研究了三角畸变晶体场下的考虑自旋单重态、三重态的全谱相的FeCO3晶体中Fe^2＋离子的基态能级及晶体结构。对考虑自旋单重态的FeCO3晶体中Fe^2＋离子的基态能级进行了分析，计算了FeCO3晶体的结构参量，计算结果和实验值相符合，同时该文给出的FeCO3晶体中Fe^2＋的自旋单重态能级，为今后的理论和实验研究提供了依据。
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| 关 键 词： | 基态能级 单重态 亚铁离子 晶体结构 |
The Ground Levels with Singlet and Crystal Structure of FeCO3 Crystal |
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| YANG Liu,XU Li-yan,ZHANG Bin.The Ground Levels with Singlet and Crystal Structure of FeCO3 Crystal[J].Journal of Hangzhou Dianzi University,2008,28(3):16-19. |
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| Authors: | YANG Liu XU Li-yan ZHANG Bin |
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| Affiliation: | ( School of Electronics ＆ Information, Hangzhou Dianzi University, Hangzhou Zhejiang 310018, China) |
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| Abstract: | In the weak field scheme, the full energy matrices are derived for 3d^4/6 ions configuration in the trigonal symmetry in terms of Racah＇ s irreducible tensor operator method. The ground levels and crystal structure of the Fe2 ^＋ ions in FeCO3 crystal are studied. The singlets of the ground levels of the Fe2 ^＋ ions in FeCO3 crystal are taken into consideration in the calculation and application of the crystalfield energy level of 3d^4/6 for the first time. The theoretical results are in good agreement with the experimental observations. The energy levels of singlets of Fe2 ^＋ ions in FeCO3 crystal are given for the first time. |
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| Keywords: | ground-state energy sing let ferrous ions crystal structure |
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