论文标题
硅的h $^ - $的热电子排放计算的第一原理计算
First-principles calculations of thermal electron emission from H$^-$ in silicon
论文作者
论文摘要
氢杂质的热电子发射过程是基本半导体物理学的重要主题。尽管有数十年的研究，但尚未建立理论。在这里，我们研究了$ \ mathrm {h}^{ - } $在硅中的过程，$ \ mathrm {h^{ - }}} \ to \ mathrm {h^{0}}} + e^{ - } $，使用第一个principles计算。我们的计算表明该过程由两个步骤组成：h $^{ - } $从四面体站点到债券中心站点的缓慢扩散，这是限制速率的步骤，并且从$ \ mathrm {h}^{ - }^{ - } $ to $ \ mathrm} $ {hh} $ {0}^0}^0}^0}^0}车身中心地点。计算出的速率与深层瞬态光谱实验一致
Thermal electron emission process of a hydrogen impurity is an important topic of fundamental semiconductor physics. Despite of decades-long study, theory is not established yet. Here, we study the process of $\mathrm{H}^{-}$ in silicon, $\mathrm{H^{-}} \to \mathrm{H^{0}} + e^{-}$, using a first-principles calculation. Our calculation indicates that the process consists of two steps: slow diffusion of H$^{-}$ from a tetrahedral site to a bond-center site, which is the rate-limiting step, and faster nonradiative transition from $\mathrm{H}^{-}$ to $\mathrm{H}^{0} + e^{-}$ that occurs subsequently at the body-center site. The calculated rate is consistent with a deep level transient spectroscopy experiment
