Theoretical analysis of semiconductor surface passivation by adsorption of alkaline-earth metals and chalcogens
Theoretical analysis of semiconductor surface passivation by adsorption of alkaline-earth metals and chalcogens
复制标题
DOI：
10.1016/j.apsusc.2012.03.166
复制
发表时间：
2012-08
影响因子：
6.7
通讯作者：
G. P. Srivastava;A. Alzahrani;D. Usanmaz
中科院分区：
文献类型：
--
作者：
G. P. Srivastava;A. Alzahrani;D. Usanmaz
我们从半导体表面通过吸附亚单层原子覆盖层来钝化的概念开始。然后，我们给出了碱土金属(II族原子)和硫族(VI族原子)亚单层吸附过程中半导体表面结构重构和钝化行为的理论分析。给出了Ca在Si(001)和Si(111)上吸附以及S在GaAs001上吸附的第一性原理计算的具体结果。强调了吸附原子和表面原子的化学物种在实现不同程度钝化中的作用。
We begin with the concept of semiconductor surface passivation by adsorption of sub-monolayer atomic coverages. We then present a theoretical analysis of structural reconstruction and passivating behaviour of semiconductor surfaces upon sub-monolayer adsorption of alkaline-earth metals (group II atoms) and chalcogens (group VI atoms). Specific results are presented from first-principles calculations for Ca adsorption on Si(001) and Si(111), and S adsorption on GaAs(001). The role of chemical species of adsorbate and surface atoms in achieving different degrees of passivation is highlighted.