Journal
NEW JOURNAL OF PHYSICS
Volume 24, Issue 12, Pages -Publisher
IOP Publishing Ltd
DOI: 10.1088/1367-2630/aca698
Keywords
interfaces; In x Ga1-x N thin films; point defect diffusion; diffusion across the interface; density functional theory
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Funding
- European Union under the European Regional Development Fund [POIR.04.04.00-00-3C81/16-00]
- National Centre for Research and Development [WPC/20/DefeGaN/2019]
- Interdisciplinary Centre for Mathematical and Computational Modelling at the University of Warsaw (ICM UW) [G88-1214, G88-1215]
- Centre for Innovation and Transfer of Natural Sciences and Engineering Knowledge at the University of Rzeszow
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This paper investigates the mechanism behind the 'green gap' problem and demonstrates that the Kirkendall effect may contribute to the thermal decomposition of InGaN/GaN MQWs structures.
A drop in the efficiency of light-emitting diodes based on InGaN/GaN QWs known as the 'green gap' has been studied intensively over the past dozen years. Several factors were revealed to contribute to its origin, such as random fluctuations in the indium concentration or the diffusion of point defects during the growth of QWs. The aim of this paper is to demonstrate that the Kirkendall effect can be the mechanism responsible for the thermal decomposition of InGaN/GaN MQWs structures, contributing to the green gap problem. By applying density functional theory, harmonic approximation, and harmonic transition state theory, we calculated the heights of the migration energy barriers of In and Ga atoms diffusing in InxGa1-xN
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