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T1uhg杨-泰乐系统:D5d势阱中的各向异性现象

邱庆春

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T1uhg杨-泰乐系统:D5d势阱中的各向异性现象

邱庆春

The anisotropic phenomena in the D5d minima for the T1uhg Jahn-Teller system

Qiu Qing-Chun
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  • 杨-泰乐(Jahn-Teller缩写为JT)系统在其最低的绝热势能面上常常典型地含有一系列相互等同的势阱.在C60分子中,若一个电子占据该分子的三重简并的能量最低电子态,这一具有T1u对称性的电子态将会与具有hg对称性的五重简并振动态发生相互作用,形成所谓的T1uhg JT系统.当考虑电声的非线性相互作用时,该系统的势能面上将出现D5d对称性的势阱并伴随D3d对称性的势垒;反之亦然.本文在幺正平移变换的基础上,引入了标度变换,研究了该JT系统中D5d势阱中的各向异性现象:在电子空间中,非线性项的引入使得
    Jahn-Teller (JT) systems contain typically a set of mutually equivalent energy minima in the lowest adiabatic potential energy surface. When one electron occupies the three degenerate electronic states in C60 molecules, the electronic states with a symmetry of T1u and the five degenerate vibrational states with a symmetry of hg will be interacted and form the T1uhg JT system. When the non-linear vibronic interaction is considered, the JT system will contain the D5d minima and D3d maxima, and vice versa. In this paper, on the basis of unitary shift transformation, the modified scale transformation is introduced and the anisotropic phenomenon is studied in the D5d minima for the T1uhg JT system. The results are incorporated into the expressions for the states in the D5d wells and their associate energies. The symmetries and their corresponding energies in the D5d wells in the electronic space are obtained. For finite couplings, the phonon overlap between wells and inversion splitting are also studied. The results obtained in this paper not only show that the anisotropic effect has a significant influence on the above physical quantities, but also are of interest in the studies of anion states (C-60) of the C60 molecules and other C60 anion-related materials.
    • 基金项目: 国家自然科学基金(批准号:10074080)资助的课题.
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  • 文章访问数:  6176
  • PDF下载量:  492
  • 被引次数: 0
出版历程
  • 收稿日期:  2002-04-11
  • 修回日期:  2002-09-18
  • 刊出日期:  2003-02-05

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