Derivation of 12- and 14-band k · p Hamiltonians for dilute bismide and bismide-nitride semiconductors
Derivation of 12- and 14-band k · p Hamiltonians for dilute bismide and bismide-nitride semiconductors
复制标题
稀双酰胺和双氮化物半导体的 12 和 14 带 k·p 哈密顿量的推导
DOI：
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发表时间：
2013
期刊：
影响因子：
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通讯作者：
E. O’Reilly
中科院分区：
文献类型：
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作者：
C. Broderick;M. Usman;E. O’Reilly
利用sp3s*紧束缚(TB)模型，我们证明了在稀双酰胺合金GaBixAs1-−x中观察到的带隙强烈弯曲和自旋轨道分裂可以用价带边的扩展态和位于GaAsVBE下的高度局域的与铋相关的共振态之间的带反腐蚀相互作用来描述。我们推导了一个描述GaBixAs1-−x能带结构的12带k·p哈密顿量，结果表明，该模型与带边附近能带结构的全理论计算以及对大成分范围内带隙和自旋轨道分裂的实验测量符合得很好。基于GaBixNyAs1−x−y的TB模型，我们证明了在很好的近似下，在无序的GaBixNyAs1−x−y合金中，N和Bi相互独立地起作用，这表明对能带结构的简单描述是可能的。我们给出了有序GaBixNyAs1−x−y晶体的14带k·p哈密顿量，它准确地再现了带边附近能带结构的全能带计算的基本特征。因此，我们提出的k·p模型非常适合于模拟这些新型III-V半导体合金的光电性质。
Using an sp3s* tight-binding (TB) model we demonstrate how the observed strong bowing of the band gap and spin-orbit-splitting with increasing Bi composition in the dilute bismide alloy GaBixAs1 − x can be described in terms of a band-anticrossing interaction between the extended states of the GaAs valence band edge (VBE) and highly localized Bi-related resonant states lying below the GaAs VBE. We derive a 12-band k · p Hamiltonian to describe the band structure of GaBixAs1 − x and show that this model is in excellent agreement with full TB calculations of the band structure in the vicinity of the band edges, as well as with experimental measurements of the band gap and spin-orbit-splitting across a large composition range. Based on a TB model of GaBixNyAs1 − x − y we show that to a good approximation N and Bi act independently of one another in disordered GaBixNyAs1 − x − y alloys, indicating that a simple description of the band structure is possible. We present a 14-band k · p Hamiltonian for ordered GaBixNyAs1 − x − y crystals which reproduces accurately the essential features of full TB calculations of the band structure in the vicinity of the band edges. The k · p models we present here are therefore ideally suited to the simulation of the optoelectronic properties of these novel III–V semiconductor alloys.
影响因子：
4
作者：
Ludewig, P.;Knaub, N.;Volz, K.
通讯作者：
Volz, K.