Resonant hole localization and anomalous optical bowing in InGaN alloys
Resonant hole localization and anomalous optical bowing in InGaN alloys
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DOI：
10.1063/1.123687
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发表时间：
1999-03-29
影响因子：
4
通讯作者：
Zunger, A
中科院分区：
文献类型：
--
作者：
Bellaiche, L;Mattila, T;Zunger, A
利用大型超晶胞经验赝势计算表明，GaN与In的合金化在空穴波函数中引起局域化，并在价带内共振。即使在分布完全均匀的情况下(即，没有集群)，也会发生这种情况。这种不同寻常的效应可以同时解释InGaN合金中激子局域化和大的、与成分有关的带隙弯曲系数。这与InGaAs等传统合金形成鲜明对比，后者表现出较小的且几乎与成分无关的弯曲系数。我们进一步预测：(1)空穴波函数局域化显著影响InGaN合金的光致发光强度；(2)InGaN合金的光学性质强烈依赖于In原子的微观排列。(C)1999年美国物理研究所。[S0003-6951(99)00613-0]。
Using large supercell empirical pseudopotential calculations, we show that alloying of GaN with In induces localization in the hole wave function, resonating within the valence band. This occurs even with perfectly homogeneous In distribution (i.e., no clustering). This unusual effect can explain simultaneously exciton localization and a large, composition-dependent band gap bowing coefficient in InGaN alloys. This is in contrast to conventional alloys such as InGaAs that show a small and nearly composition-independent bowing coefficient. We further predict that (i) the hole wave function localization dramatically affects the photoluminescence intensity in InGaN alloys and (ii) the optical properties of InGaN alloys depend strongly on the microscopic arrangement of In atoms. (C) 1999 American Institute of Physics. [S0003-6951(99)00613-0].