Al-L2,3 edge x-ray absorption spectra in III-V semiconductors : Many-body perturbation theory in comparison with experiment
Al-L2,3 edge x-ray absorption spectra in III-V semiconductors : Many-body perturbation theory in comparison with experiment
复制标题
III-V族半导体中的Al-L2,3边缘X射线吸收光谱：多体微扰理论与实验的比较
DOI：
10.1103/physrevb.83.195206
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发表时间：
2011
影响因子：
3.7
通讯作者：
C.Ambrosh-Draxl
中科院分区：
文献类型：
--
作者：
W.Olvsson;I.Tanaka;T.Mizoguchi;G.Radtke;P.Puchnig;C.Ambrosh-Draxl
我们研究了III-V半导体AlP、AlAs、AlSb和AlN中Aledge的核心激发。对于后者，我们考虑纤锌矿、闪锌矿和岩盐多晶型。第一性原理计算采用了两种不同的方法，即Bethe-Salpeter方程(BSE)的解和采用核心-空穴近似的超晶胞技术。此外，还测量了亚稳态AlN相的电子能量损失近边结构。我们发现，用BSE比用超晶胞方法能更好地描述光谱特征的相对强度。在AlSb和盐岩AlN的情况下，我们分析了近边缘峰的特征，并追溯了它们的起源是强束缚核心激子。
We investigate core excitations of the Aledge in the III-V semiconductors AlP, AlAs, AlSb, and AlN. For the latter, we consider the wurtzite, zinc-blende, and rock-salt polymorphs. First-principles calculations are performed utilizing two different approaches, which are the solution of the Bethe-Salpeter equation (BSE) as well as the supercell technique employing the core-hole approximation. In addition, measurements of the electron energy-loss near-edge structure of the metastable AlN phase are presented. We find that the relative intensities of the spectral features are better described by the BSE than by the supercell method. We analyze the character of the near-edge peaks and trace back their origin to strongly bound core excitons in the case of AlSb and rock-salt AlN.