Elastically frustrated rehybridization: Origin of chemical order and compositional limits in InGaN quantum wells

Lymperakis, L. and Schulz, T. and Freysoldt, C. and Anikeeva, M. and Chen, Z. and Zheng, X. and Shen, B. and Chèze, C. and Siekacz, M. and Wang, X.Q. and Albrecht, M. and Neugebauer, J.

Volume: 2 Pages:
DOI: 10.1103/PhysRevMaterials.2.011601
Published: 2018

Nominal InN monolayers grown by molecular beam epitaxy on GaN(0001) are investigated combining in situ reflection high-energy electron diffraction (RHEED), transmission electron microscopy (TEM), and density functional theory (DFT). TEM reveals a chemical intraplane ordering never observed before. Employing DFT, we identify a novel surface stabilization mechanism elastically frustrated rehybridization, which is responsible for the observed chemical ordering. The mechanism also sets an incorporation barrier for indium concentrations above 25% and thus fundamentally limits the indium content in coherently strained layers. © 2018 American Physical Society.

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