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Journal of Computational Electronics
Published in: Journal of Computational Electronics 4/2018

30-07-2018

Million-atom tight-binding modeling of non-polar a-plane InGaN light emitters

Authors: Md Rezaul Karim Nishat, Mayada M. Taher, Shaikh S. Ahmed

Published in: Journal of Computational Electronics | Issue 4/2018

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Abstract

This paper mainly concerns with the numerical implementation as well as validation of wurtzite non-polar a-plane crystal structure within the open-source multimillion-atom NEMO 3-D quantum simulator. While constructing the 10-band sp3s*-spin tight-binding Hamiltonian, the connectivity matrix is mapped from the atom positions, neighbor information, bonding length and chemical bonding information using the VESTA toolkit. For the non-polar a-plane structure, piezoelectric potential has been calculated and incorporated via an angular rotation of the polar c-plane strain tensors. Many-body excitonic states, when needed, have been calculated using a full configuration interaction (FCI) method. The augmented platform has been benchmarked against an experimentally reported nitride multiple quantum well (MQW) LED. To further validate the applicability, detailed analysis has been presented comparing the performance (in terms of optical bandgap, transition rate and internal quantum efficiency) of c-plane-, m-plane- and the a-plane-based InGaN disk-in-wire LED structures.
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Metadata
Title
Million-atom tight-binding modeling of non-polar a-plane InGaN light emitters
Authors
Md Rezaul Karim Nishat
Mayada M. Taher
Shaikh S. Ahmed
Publication date
30-07-2018
Publisher
Springer US
Published in
Journal of Computational Electronics / Issue 4/2018
Print ISSN: 1569-8025
Electronic ISSN: 1572-8137
DOI
https://doi.org/10.1007/s10825-018-1221-x

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