利用X_α—重叠球方法研究半导体的局域电子结构——Ⅲ.硅中的某些深能级杂质

• 作 者: 陈福荫
• 出 处: 固体电子学研究与进展
• 发表日期: 2004年期
• 关键词: 深能级杂质 施主能级 理论预言 中性 硫原子 适用性 半导体 按比例缩小 微扰 电子结构

作为本文研究的主要目的,证实了X_α—重叠球方法在研究共价半导体中深能级杂质的适用性.作者利用自旋非极化的X_α—重叠球方法计算了硅中硫、氧和碳的杂质能级,得到了与实验或理论基本一致的结果.中性硫原子在硅中为处于E_c-0.39eV的深施主能级.中性氧原子在硅中的行为与理论预言大体相符,为E_v+0.22eV的深施主能级.本文得到的硅中杂质碳的能级是E_c-0.08eV,它可能为处于较浅部位的深杂质能级.

As the main purpose of this paper, the applicability of the X_α-overlapped sphere method to the study of deep-level impurities in covalent semiconductors was demonstrated. The authors calculated the sulfur, oxygen, and carbon in silicon by using the spin-unpolarized X_α- The results show that the neutral sulfur atoms are in the deep donor level of E_c-0.39eV in silicon.The behavior of neutral oxygen atoms in silicon generally agrees with the theoretical prediction, Is the deep donor energy level of E_v + 0.22eV.The energy level of impurity carbon in silicon obtained here is E_c-0.08eV, which may be the deep impurity level in the shallower part.