论文标题
半导体中统一依赖性掺杂行为的统一理论和基本规则
A Unified Theory and Fundamental Rules of Strain-dependent Doping Behaviors in Semiconductors
论文作者
论文摘要
通过应变工程增强半导体的障碍对于提高其功能至关重要，但是，这在很大程度上受到缺乏基本规则的阻碍。在这封信中，我们首次开发了一种统一的理论，以了解在菌株下具有不同电荷状态的缺陷（或掺杂剂）的总能量变化，这可以表现出抛物线或超线性行为，这取决于缺陷诱导的局部体积变化（ΔV）的大小。通常，当将电子（去除）添加到缺陷位点时，ΔV会增加（减少）。因此，就这一统一理论而言，可以获得三个基本规则，以进一步理解或预测半导体中的不同掺杂行为，即缺陷形成能，电荷状态过渡水平和费米固定水平。这三个基本规则通常可以用于改善兴奋剂性能或克服各种半导体中的兴奋剂瓶颈。
Enhancing the dopability of semiconductors via strain engineering is critical to improving their functionalities, which is, however, largely hindered by the lack of fundamental rules. In this Letter, for the first time, we develop a unified theory to understand the total energy changes of defects (or dopants) with different charge states under strains, which can exhibit either parabolic or superlinear behaviors, determined by the size of defect-induced local volume change (ΔV). In general, ΔV increases (decreases) when an electron is added (removed) to (from) the defect site. Consequently, in terms of this unified theory, three fundamental rules can be obtained to further understand or predict the diverse strain-dependent doping behaviors, i.e., defect formation energies, charge-state transition levels, and Fermi pinning levels, in semiconductors. These three fundamental rules could be generally applied to improve the doping performance or overcome the doping bottlenecks in various semiconductors.
