论文部分内容阅读
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。
In this paper, the chemisorption of hydrogen on the Si_xGe_ (1-x) surface of a mixed crystal semiconductor has been studied by using the coherent potential approximation of 2 × 2 matrix and the Green’s function method. The curves of chemical adsorption energy and charge transfer with the percentage concentration of Si have been given The calculated results show that: (1) the chemisorption energy decreases with the increase of Si content; (2) the charge transfer decreases slowly with increasing Si concentration; and (3) the hydrogen atoms are negatively charged during chemical adsorption.