Quantum Dynamics of Soliton-Pair Creation in Quasi-One-Dimensional Halogen-Bridged metal Complexes

准一维卤桥金属配合物中孤子对产生的量子动力学

基本信息

批准号：
10640319
负责人：
IWANO Kaoru
金额：
$ 2.05万
依托单位：
High Energy Accelerator Research Organization
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
财政年份：
1998
资助国家：
日本
起止时间：
1998 至 1999
项目状态：
已结题

项目摘要

In this project we have estimated the probability of the non-radiative transition from the relaxed state (confined soliton and antisoliton) in the first excited state to the ground state, in the framework of a non-degenerate charge-density-wave(CDW) model.All through this project, the main problem has been how to incorporate modes of phonons which are ruling the degree of non-adiabatic transitions. In the first year, we only treated the relative coordinate between the soliton and the antisoliton to find that the obtained probability was very small and so the selection was not enough. By detailed analysis, we clarified that the reason was the lack of long-wave phonons which are very closely related to the concerned transition. Therefore we tackled with the problem of how to include such many modes, in the second year.As the first method, we have added the amplitude of a deformation localized around the solitons as the second mode. Here the deformation is prepared to consist mainly of the modes close to k=0. Thus the purpose of this method is to check the prediction in the first year. As a result, the probability drastically increases to give the life time of about 8.6 ns for a certain parameter set. (Cf : it was about 12 ms in the case of one-coordinate treatment)Next, we have included cosine-type modes, instead of the localized mode. Such modes are added from the k=o one in increasing order. Fortunately, modes with different wave numbers can be treated almost independently. Thus, their contributions become additive without any interference with each other. In this situation, we have increased the number of modes from 1 to 40 in the system with 200 sites. As a result, the probability almost reaches to saturation at the number of 25. Finally, we have obtained the value of 110 ps as the life time, which is consistent with the result by the semi-classical method, namely, 80 ps.

在这个项目中，我们估计了从宽松的状态（约束孤子和反索顿）以第一个激发状态到基础状态的非辐射过渡的可能性，在非分化电荷密度波（CDW）模型的框架内。所有通过该项目通过这个项目，主要问题是如何将非跨性别的跨性别的声音纳入统治跨性别的声音的主要问题。在第一年，我们仅处理了孤子和反溶剂之间的相对坐标，以发现所获得的概率很小，因此选择不够。通过详细的分析，我们阐明了原因是缺乏与相关过渡密切相关的长波声子。因此，我们解决了如何在第二年中包含如此多种模式的问题。作为第一种方法，我们添加了围绕孤子围绕孤子作为第二种模式的变形的幅度。这里准备变形主要由接近k = 0的模式组成。因此，该方法的目的是检查第一年的预测。结果，对于某个参数集，概率大大增加，使寿命约为8.6 ns。（CF：在单坐标处理的情况下约为12 ms）接下来，我们包括余弦型模式，而不是局部模式。从k = o中添加了这样的模式，以增加顺序。幸运的是，具有不同波数的模式几乎可以独立处理。因此，他们的贡献变得加性而不会彼此干扰。在这种情况下，我们将模式的数量从系统中的1个增加到40个站点。结果，概率几乎达到25的饱和度。最后，我们获得了110 ps的值作为寿命，这与半古典方法的结果一致，即80 ps。