氢原子在混晶半导体Si_xGe_(l-x)表面上的化学吸附

H Atom Chemisorption on Si_x Ge_(l-x) Surface Cong Shulin

本文采用2×2矩阵相干势近似和格林函数方法研究了氢原子在混晶半导体Si_xGe_(1-x)表面上的化学吸附,给出了化学吸附能和电荷转移随Si的百分比浓度的变化曲线,计算结果表明:(1) 化学吸附能随Si含量的增加而减小;(2) 电荷转移随Si浓度的增加而缓慢减少;(3) 在化学吸附过程中,氢原子被带上负电。

The 2×2 matrix choherent-potential approximation (CPA) and the Green's function method are used to study H atom chemissorption on the surface of Si_xGe_(1-x). The chemisorption enegy and charge transfer are calculated as a function of the concentration percentage of Si. The results are as follows: (1) The chemisorption energy decreases with the increasing of the Si concentration x, resulting in a more stable chemisorption. (2) The charge transfer slow decreases with increasing of the Si concentration x. (3) H atom is charged negatively in chemisorption.