论文标题
温度对半导体缺陷电荷过渡水平的影响
Temperature Effect on Charge-state Transition Levels of Defects in Semiconductors
论文作者
论文摘要
缺陷对于确定半导体的整体物理特性至关重要。通常,电荷状态过渡水平(TEL)是确定半导体中缺陷的关键物理量之一,是温度依赖性的。但是,对TEL的温度依赖性知之甚少,因此,半导体中几乎所有现有的缺陷理论都建立在无关的近似值上。在本文中,通过得出依赖温度依赖性TEL的基本公式,我们已经为TEL在半导体中的温度依赖性建立了两个基本规则。基于这些规则,令人惊讶的是,发现TEL对不同缺陷的温度依赖性相当多样:它可以变得更浅,更深或保持不变。这种缺陷特异性的行为主要取决于自由能校正之间的协同或相反效应(由电荷状态过渡过程中缺陷周围的局部体积变化决定)和带边缘变化(在不同的半导体方面有所不同)。这些基本的公式和规则,通过GAN中大量最先进的温度依赖性缺陷确认,可能被广泛采用作为理解或优化有限温度半导体掺杂行为的准则。
Defects are crucial in determining the overall physical properties of semiconductors. Generally, the charge-state transition level (TEL), one of the key physical quantities that determines the dopability of defects in semiconductors, is temperature dependent. However, little is known about the temperature dependence of TEL, and, as a result, almost all existing defect theories in semiconductors are built on a temperature-independent approximation. In this article, by deriving the basic formulas for temperature-dependent TEL, we have established two fundamental rules for the temperature dependence of TEL in semiconductors. Based on these rules, surprisingly, it is found that the temperature dependences of TEL for different defects are rather diverse: it can become shallower, deeper, or stay unchanged. This defect-specific behavior is mainly determined by the synergistic or opposing effects between free energy corrections (determined by the local volume change around the defect during a charge-state transition) and band edge changes (which differ for different semiconductors). These basic formulas and rules, confirmed by a large number of state-of-the-art temperature-dependent defect calculations in GaN, may potentially be widely adopted as guidelines for understanding or optimizing doping behaviors in semiconductors at finite temperatures.