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arXiv 1001.3553cond-mat.mes-hall
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GaN/AlN纳米线异质结构中的Stark效应:应变弛豫和表面态的影响

Stark effect in GaN/AlN nanowire heterostructures: Influence of strain relaxation and surface states

D. Camacho, Y. M. Niquet

摘要:

我们模拟了生长在[0001]取向GAN纳米线上的AlN/GAN/AlN异质结构中的量子限制Stark效应。在一个自洽的方法中计算的pyro和压电场,使没有假设的费米能级的钉扎,但包括一个明确的表面状态,可以作为一个源或陷阱的载流子的分布。我们发现,热电场和压电场弯曲的GAN和AlN的传导带和价带,并将电荷从纳米线的顶面转移到异质结构下方的电子气。结果,费米能级可能被钉扎在顶表面处的AlN的价带附近。电子气和表面电荷屏蔽了电场,从而降低了斯塔克效应。有效的应变弛豫进一步削弱了压电极化。我们用sp 3d 5s * 紧束缚模型计算了异质结的电子性质,并将理论预测与现有的实验数据进行了比较。

英文摘要:

We model the quantum confined Stark effect in AlN/GaN/AlN heterostructures grown on top of [0001]-oriented GaN nanowires. The pyro- and piezoelectric field are computed in a self-consistent approach, making no assumption about the pinning of the Fermi level, but including an explicit distribution of surface states which can act as a source or trap of carriers. We show that the pyro- and piezoelectric field bends the conduction and valence bands of GaN and AlN and transfers charges from the top surface of the nanowire to an electron gas below the heterostructure. As a consequence, the Fermi level is likely pinned near the valence band of AlN at the top surface. The electron gas and surface charges screen the electric field, thereby reducing the Stark effect. The efficient strain relaxation further weakens the piezoelectric polarization. We compute the electronic properties of the heterostructures with a sp3d5s* tight-binding model, and compare the theoretical predictions with the available experimental data.

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