Theoretische Chemie, Physikalisch-Chemisches Institut, Im Neuenheimer Feld 229, 69120 Heidelberg, Germany.
J Chem Phys. 2011 Oct 14;135(14):144112. doi: 10.1063/1.3646205.
In this work we demonstrate that the interatomic Coulombic decay (ICD), an ultrafast electron relaxation process known for atoms and molecules, is possible in general binding potentials. We used the multiconfiguration time-dependent Hartree method for fermions to study ICD in real time in a two-electron model system of two potential wells. Two decay channels were identified and analyzed by using the box stabilization analysis as well as by evaluating the autocorrelation function and measuring the outgoing electron flux during time-propagations. The total and partial ICD widths of an excited state localized in one potential well as a function of the distance between the two potentials was obtained. Finally, we discuss the results with a view to a possible application of ICD in quantum dot technology.
在这项工作中，我们证明了原子和分子中已知的超快电子弛豫过程——原子间库仑衰变（ICD），在一般的束缚势中也是可能的。我们使用多组态含时哈特里方法对费米子进行了实时研究，在一个双势阱的双电子模型系统中研究了 ICD。通过使用盒子稳定化分析以及评估自相关函数和在时间演化过程中测量出射电子流，确定并分析了两种衰变通道。获得了局域在一个势阱中的激发态的总 ICD 宽度和部分 ICD 宽度与两个势之间的距离的函数关系。最后，我们讨论了这些结果，以期在量子点技术中应用 ICD。
