Heterointerface point defects in GaN/AlN quantum wells

Yahor V. Lebiadok; Alena A. Razumets; Tatyana V. Bezyazychnaya; Ivan A. Aleksandrov; Konstantin S. Zhuravlev

doi:10.1117/1.JNP.12.043512

14 July 2018 Heterointerface point defects in GaN/AlN quantum wells

Yahor V. Lebiadok, Alena A. Razumets, Tatyana V. Bezyazychnaya, Ivan A. Aleksandrov, Konstantin S. Zhuravlev

Author Affiliations +

Journal of Nanophotonics, Vol. 12, Issue 4, 043512 (July 2018). https://doi.org/10.1117/1.JNP.12.043512

Abstract

On the base of density functional theory (DFT) calculations, it was ascertained that the GaN/AlN heterointerfaces without Al and Ga contacting layers intermixing and with the total substitution of the contacting layers are energetically more probable than the heterointerfaces with another amount of intermixing. The displacement of nitrogen atom from its site to second coordinate sphere between Ga and Al contacting layers is more probable than the displacement to the Al part of the cluster. The presence of nitrogen atom vacancy in the heterointerface does not influence the Al and Ga contacting layers intermixing, but complex defect nitrogen vacancy + interstitial N atom in the second coordinate sphere can be stable in contrast to the case of Al vacancy + interstitial Al atom in the second coordinate sphere. On the base of comparison of calculated and experimental data, it was ascertained that the most probable location of nitrogen vacancy in the vicinity of GaN/AlN interface is the location in the first Ga layer in respect to the GaN/AlN interface.

Citation Download Citation

Yahor V. Lebiadok, Alena A. Razumets, Tatyana V. Bezyazychnaya, Ivan A. Aleksandrov, and Konstantin S. Zhuravlev "Heterointerface point defects in GaN/AlN quantum wells," Journal of Nanophotonics 12(4), 043512 (14 July 2018). https://doi.org/10.1117/1.JNP.12.043512

Received: 16 April 2018; Accepted: 27 June 2018; Published: 14 July 2018

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