摘要
本文以共价晶体硅的(100)面为例,直接采用原子波函数,在键轨道模型近似下计算了清洁和存在氧吸附的表面Si原子的2p能级结合能的位移,得到了与实验数据相吻合的结果,从而证明了利用这种方法研究芯能级结合能的位移是行之有效的.
A direct method based on Bond Obital Model from the true atomic wave functions issuggested for the calculation of core level shifts with both clean and adsorbel surfaces, takingthe Si(2p) electron on (100) surface as an example.The results are in agreement with theexperimental data.This demonstrates the application of the methed to the problem.
基金
国家自然科学基金
关键词
硅
表面
芯能级
化学位移
Silicon
Surface
Core level
Chemical shift
