空位缺陷对过渡金属表面电子态及化学吸附的影响

The Effects of Lattice Vacancy on Surface Electronec DOS and CDOS due to Chemisorption

本文用Ｅｉｎｓｔｅｉｎ和Ｓｃｈｒｉｅｆｆｅｒ的单电子化学吸附理论及Ｙａｎｉｖ的空位理论研究了空位缺陷对过渡金属表面态密度及化学吸附引起的表面态密度变化的影响。结果表明，空位离表面格点愈近，对其表面态密度影响愈大，空位的存在有利于表面复合物的形成。这与实验符合得很好。

One-electron chemisorption theory of ES'and vacancy theory of Yaniv's are em-ployed to study the cffects of vacancy of the density of states(DOS)on transition metal surfaces,andthe changes in DOS(CDOS)due to chemisorption.It is found that the closer a vacancy is to the sur-face lattice site,the greater the effects of a vacancy are on them,and that the existing of a vacancyin the vacinity of the surface layer is of advantage for the construction of surface complex.