论文标题
第四纪MGSIN_2-GAN合金半导体，用于深紫外线应用
Quaternary MgSiN_2-GaN alloy semiconductors for deep UV applications
论文作者
论文摘要
超宽的直接带隙半导体对深紫外光电子应用具有巨大的希望。在这里，我们评估了MGSIN $ _2 $ gan合金的潜力。尽管MGSIN $ _2 $本身的间接差距$ \ sim $ \ sim $ 0.4 ev低于$ \ sim $ 6.5 $ 6.5 ev，但其在两个不同的基础平面方向上与gan的不同符号晶格不匹配可以避免限制Al $ _x $ ga $ _ $ _ $ _ {1-x $ _ {1-x $ n上的gan gan for $ x $ x $ x $ x $ x $ x $ x $ x $ x $ n限制。研究了50％的MGSIN $ _2 $和GAN合金的两个八位八块保存结构（带有空间组$ PMN2_1 $和$ P1N1 $），并且发现使用quasiparticle self-Consistersticle（QS）$ gw $计算的差距大于4.75 eV。从间接差距小于直接间隙低于0.1 eV的意义上，两者几乎都是直接的差距。他们的混合能量很小但很小，值为8（31）个MEV/ATOM，价格为$ PMN2_1 $（$ P1N1 $），这仅表示朝相位分离的小动力。
Ultra-wide direct band gap semiconductors hold great promise for deep ultraviolet opto-electronic applications. Here we evaluate the potential of MgSiN$_2$-GaN alloys for this purpose. Although MgSiN$_2$ itself has an indirect gap $\sim$0.4 eV below its direct gap of $\sim$6.5 eV, its different sign lattice mismatch from GaN in two different basal plane directions could avoid the tensile strain which limits Al$_x$Ga$_{1-x}$N on GaN for high $x$. Two octet-rule preserving structures (with space groups $Pmn2_1$ and $P1n1$) of a 50% alloy of MgSiN$_2$ and GaN are investigated and are both found to have gaps larger than 4.75 eV using quasiparticle self-consistent (QS) $GW$ calculations. Both are nearly direct gap in the sense that the indirect gap is less than 0.1 eV lower than the direct gap. Their mixing energies are positive yet small, with values of 8 (31) meV/atom for $Pmn2_1$ ($P1n1$) indicating only a small driving force toward phase separation.
