论文标题
近频段的应变和组成依赖性单斜晶（Al $ _x $ ga $ _ $ _ {1-x} $）$ _ 2 $ _ 2 $ o $ $ _3 $合金与（010）GA $ _2 $ $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $ _3 $
Strain and composition dependencies of the near bandgap optical transitions in monoclinic (Al$_x$Ga$_{1-x}$)$_2$O$_3$ alloys with coherent biaxial in-plane strain on (010) Ga$_2$O$_3$
论文作者
论文摘要
$β$ - （Al $ _ {X} $ ga $ _ {1-x} $ _ 2 $ _ 2 $ o $ _3 $合金通过$β$ - （al $ _ {x} $ _ $ _ {al $ _ {al $ _ {x} $ _3 $合金通过合并的密度功能理论（DFT）和普遍的光谱分析椭圆分析（gse）方法解决。两者的电子带结构的DFT计算，$β$ -GA $ _2 $ o $ $ _3 $和$θ$ -AL $ _2 $ _2 $ o $ $ _3 $，允许提取合金中能量转移的线性部分，并提供量化量化在量化中的作用的方法$β$ - （al $ _ {x} $ ga $ _ {1-x} $）$ _ 2 $ o $ $ $ _3 $薄膜（010）$β$ -GA $ -GA $ _2 $ o $ $ _3 $ substrates。使用光谱椭圆法征晶模型方法获得带对频段跃迁的能量[A. Mock等人，物理。 Rev. B 95，165202（2017）]。在减去应变的效果后，这也引起了额外的鞠躬，并在减去因合金而导致的能量转移的线性部分减轻后，与单胶条$β$ - （al $ _ {x} $ ga $ _ {1-x} $ _ {1-x $ _ {1-x $ _ {1-x $ _ 2 $ o _ $ o $ o $ o $ o $ o $ o $ o $ o $ $ o $ $ o的三个最低带对波段过渡相关的弓形参数。
The bowing of the energy of the three lowest band-to-band transitions in $β$-(Al$_{x}$Ga$_{1-x}$)$_2$O$_3$ alloys was resolved using a combined density functional theory (DFT) and generalized spectroscopic ellipsometry (GSE) approach. The DFT calculations of the electronic band structure of both, $β$-Ga$_2$O$_3$ and $θ$-Al$_2$O$_3$, allow extracting of the linear portion of the energy shift in the alloys, and provide a method for quantifying the role of coherent strain present in the $β$-(Al$_{x}$Ga$_{1-x}$)$_2$O$_3$ thin films on (010) $β$-Ga$_2$O$_3$ substrates. The energies of band-to-band transitions were obtained using the spectroscopic ellipsometry eigenpolarization model approach [A. Mock et al., Phys. Rev. B 95, 165202 (2017)]. After subtracting the effects of strain which also induces additional bowing and after subtraction of the linear portion of the energy shift due to alloying, the bowing parameters associated with the three lowest band-to-band transitions in monoclinic $β$-(Al$_{x}$Ga$_{1-x}$)$_2$O$_3$ are found.
