摘要
本文用原子集团模型和 ASED-MO方法,计算了K在Si(100)2 ×1面上不同吸附位置上的结合能和K-K相互作用能,从不同吸附结构下吸附能的计算结果,讨论了饱和覆盖度下的表面结构问题,支持了由两种类型的吸附K原子键组成的双层结构模型.
Using ASED-MO method and cluster model, the binding energies of K atoms on Si(100)2×1 surface for different sites and the K-K interactions are calculated.From the calculated.results of chemisorption energies for different kinds of chemisorption structures, the surfacestructure for saturated coverage is discussed, and the double layer model is confirmed.
基金
国家自然科学基金
