全谱项FeCO_3基态能级与晶体结构  

The Ground Levels with Singlet and Crystal Structure of FeCO_3 Crystal

作　　者：杨柳[1] 徐丽燕[1] 张斌[1] 

机构地区：[1]杭州电子科技大学电子信息学院,浙江杭州310018

出　　处：《杭州电子科技大学学报（自然科学版）》2008年第3期16-19,共4页Journal of Hangzhou Dianzi University：Natural Sciences

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3d4/6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Fe2+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Fe2+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Fe2+的自旋单重态能级,为今后的理论和实验研究提供了依据。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.

关 键 词：基态能级 单重态 亚铁离子 晶体结构 

分 类 号：O641[理学—物理化学]