| Popis: |
The effect of atomic disorder fluctuation on the distributions of bond lengths and electron densities for optically-excited C60 and C60 doped with alkali-metal are studied and we adopt the methods that the fluctuation is modeled by Gaussian-random parameters, and that the sample averaging is performed over a large number of independent atomic disorder configurations.The distributions of bond lengths and electron densities are shown to be the functions of the strength for the atomic dis order fluctuation,as well as the number and variety of extra charges.It is discovered:1 When the difference between the long and short bonds is 0.0044nm,the dimerization in C60 still remains when the atomic disorder fluctuation is 0—0.01nm.2 When the strength of the atomic disorder fluctuation is 0—0.00775nm,there exist polarons in C±60 and C--60; when the strength of the atomic disorder fluctuation is 0—0.00548nm,there also exist polarons in C－60,C3－60 and C±±60. |
