Based on the above calculation, we havealso studied the electronic energy structure and total density of states using a slabmodel of 12-layers of Si(111) with and without monolayer of adsorbates and the EHT-ETB method.

• 计算结果表明；F可以吸附在Si(111)面的顶位和三度空位上；但以顶位为更稳状态.；顶位吸附时；F与表面的距离为1