RGS中a－STE及原子解吸的机理研究

A Study of a-STE and Desorption of Atoms in Rare Gas Solids

在单电子Ｈａｒｔｒｅｅ－Ｆｏｃｋ近似的基础上采用扩展离子方法研究ＲＧＳ中原子型的激子驰豫及所导致的激发态原子解吸机理．研究表明激子──晶格相互作用在解吸过任中起着重要作用．研究结果是位于表面的及表现下一层的原子型激子，可通过空腔解吸机理导致激发态Ｎｅ原子的解吸，却不可能导致激发态Ｋｒ原子的解吸，这与它们的体内ａ－ＳＴＥ周围能否形成空腔有关．此外，对解吸原子的发光研究结果与实验符合得较好．

On the basis of one -electron Hartree-Fock approximation, the extended - ion method has been used to investigate the excited atom desorption induced by the formation and decay of atomic exciton on and near the RGS surface, The results show that the exciton - lattice interaction plays an important role in the process of desorption. By the cavity-ejection mechanism, excited Ne atom can be ejected while excited Kr atom can not, these are related that it can form 'cavity'around a-STE in the bulk or not. The luminescence energies of the ejected atoms ars in good agreement with the experimental results.