Au（111）衬底上单层Pd的电子态密度

用Ｒｅｃｕｒｓｉｏｎ方法计算了几个表面系统的电子态密度，这些系统在费米能附近的态密度主要是由原子的ｄ轨道贡献的．Ｐｄ（１１１）的态密度峰基本上就在费米能附近，而Ａｕ（１１１）－Ｐｄ的态密度峰在费米能级以下约０．９ｅＶ附近，这种差别被归因于原子间距的增大和顶层与衬底间原子ｄ轨道能的较大差异．

Studies on the Electronic State Density of a Monolayer Pd on Au(111)

The saute densities of several surface systems have been studied with recursion method. It is found that the state densities near Fermi level are mainly derived from the atomic d orbitals. For Pd(111),the state density peak derived from Pd d levels is near EF but for An (111)-Pd, the same Peak is about 0. 9eV below EF. The difference between the peak positions for the two systems has been thought as a result of the different Pd spacing and the great difference between the d level of the overlayer and that of the substrate.