Charge transfer adsorption in silicon vapor‐phase epitaxial growth
Charge transfer adsorption in silicon vapor‐phase epitaxial growth
复制标题
硅气相外延生长中的电荷转移吸附
DOI：
10.1063/1.340250
复制
发表时间：
1988
影响因子：
3.2
通讯作者：
Y. Ohshita
中科院分区：
文献类型：
--
作者：
A. Ishitani;T. Takada;Y. Ohshita
对SiH2Cl2气相外延生长硅进行了理论研究。用从头算分子轨道方法计算了SiH_2Cl_2生成物种的优化几何构型和总能量。考虑了硅表面与SiCl_2相互作用的电荷转移。基于SiCl−2具有比SiCl 2更低的总能量的计算结果，提出了一种新的吸附机理，称为电荷转移吸附。利用这种电荷转移吸附和空心桥位的表面反应，讨论了硅（001）、（111）和（110）表面的外延生长。由于空心桥位的特定位置，这三个表面的外延生长以不同的方式发生。
Silicon vapor‐phase epitaxial growth with SiH2Cl2 is theoretically studied. The optimized geometries and total energies of the species, generated from SiH2Cl2, are calculated by using an ab initio molecular orbital method. The charge transfer of the interaction between a silicon surface and SiCl2 is considered. Based on the computational result that SiCl−2 has the lower total energy that SiCl2, a new adsorption mechanism, named charge transfer adsorption, is proposed. By using this charge transfer adsorption followed by the surface reaction at the hollow bridge site, the epitaxial growths on the silicon (001), (111), and (110) surfaces are discussed. The epitaxial growths take place in different ways for these three surfaces because of the specific locations of the hollow bridge sites.