P、As和Sb重掺杂对锗发光材料带隙变窄的影响
Effects of P, As, and Sb heavy doping on band gap narrowing of germanium as light-emitting materials
摘要：
该n型张应变Ge可用作高效发光材料。为了揭示n型掺杂对Ge电子结构的影响，采用第一性原理计算和能带展开技术计算了P、As和Sb掺杂Ge的电子结构.我们发现，这些n型掺杂可以诱导间接和直接的带隙变窄，这很好地再现实验观察到的光致发光光谱中发生的红移与n型掺杂的Ge。结果表明，间接带隙变窄主要是由杂质态引起的，而直接带隙变窄则是由掺杂原子引起的晶格畸变引起的。此外，我们发现，它可以用E_g^r-E_g^L来解释电压增加所需的通过不同的样品随着掺杂浓度的增加，以达到相同的发光电流密度。
英文摘要：
The n-type tensile-strained Ge can be used as high-efficient light-emitting materials. To reveal the influence of n-type doping on the electronic structure of Ge, we have computed the electronic structure of P, As and Sb doped Ge using first-principles calculation and band unfolding technique. We find that these n-type doping can induce both indirect and direct band gap narrowing, which well reproduce experimental observation that red-shifts occur in photoluminescence spectra of Ge with n-type doping. We reveal that the indirect band gap narrowing is mainly caused by impurity state, while the direct band gap narrowing is a result of lattice distortion induced by the dopant atom. Moreover, we find that it can use E_g^Γ-E_g^L to explain the voltage increase was needed to reach the same current densities of light emission through the different samples with increasing doping concentrations.
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