Doping Induced Structural Stability and Electronic Properties of GaN Nanotubes

The present paper discusses the effect of manganese doping on the structural stability and electronic band gap of chiral (2, 1), armchair (3, 3), and zigzag ((6, 0) and (10, 0)) single walled GaN nanotube by using density functional theory based Atomistix Toolkit (ATK) Virtual NanoLab (VNL). The str...

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Detalles Bibliográficos
Autores principales: Srivastava, Anurag, Khan, Mohammad Irfan, Tyagi, Neha, Swaroop Khare, Purnima
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi Publishing Corporation 2014
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3953657/
https://www.ncbi.nlm.nih.gov/pubmed/24707225
http://dx.doi.org/10.1155/2014/984591
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author Srivastava, Anurag
Khan, Mohammad Irfan
Tyagi, Neha
Swaroop Khare, Purnima
author_facet Srivastava, Anurag
Khan, Mohammad Irfan
Tyagi, Neha
Swaroop Khare, Purnima
author_sort Srivastava, Anurag
collection PubMed
description The present paper discusses the effect of manganese doping on the structural stability and electronic band gap of chiral (2, 1), armchair (3, 3), and zigzag ((6, 0) and (10, 0)) single walled GaN nanotube by using density functional theory based Atomistix Toolkit (ATK) Virtual NanoLab (VNL). The structural stability has been analyzed in terms of minimum ground state total energy, binding, and formation energy. As an effect of Mn doping (1–4 atoms), all the GaN nanotubes taken into consideration show semiconducting to metallic transition first and after certain level of Mn doping changes its trend.
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spelling pubmed-39536572014-04-06 Doping Induced Structural Stability and Electronic Properties of GaN Nanotubes Srivastava, Anurag Khan, Mohammad Irfan Tyagi, Neha Swaroop Khare, Purnima ScientificWorldJournal Research Article The present paper discusses the effect of manganese doping on the structural stability and electronic band gap of chiral (2, 1), armchair (3, 3), and zigzag ((6, 0) and (10, 0)) single walled GaN nanotube by using density functional theory based Atomistix Toolkit (ATK) Virtual NanoLab (VNL). The structural stability has been analyzed in terms of minimum ground state total energy, binding, and formation energy. As an effect of Mn doping (1–4 atoms), all the GaN nanotubes taken into consideration show semiconducting to metallic transition first and after certain level of Mn doping changes its trend. Hindawi Publishing Corporation 2014-02-24 /pmc/articles/PMC3953657/ /pubmed/24707225 http://dx.doi.org/10.1155/2014/984591 Text en Copyright © 2014 Anurag Srivastava et al. https://creativecommons.org/licenses/by/3.0/ This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Article
Srivastava, Anurag
Khan, Mohammad Irfan
Tyagi, Neha
Swaroop Khare, Purnima
Doping Induced Structural Stability and Electronic Properties of GaN Nanotubes
title Doping Induced Structural Stability and Electronic Properties of GaN Nanotubes
title_full Doping Induced Structural Stability and Electronic Properties of GaN Nanotubes
title_fullStr Doping Induced Structural Stability and Electronic Properties of GaN Nanotubes
title_full_unstemmed Doping Induced Structural Stability and Electronic Properties of GaN Nanotubes
title_short Doping Induced Structural Stability and Electronic Properties of GaN Nanotubes
title_sort doping induced structural stability and electronic properties of gan nanotubes
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3953657/
https://www.ncbi.nlm.nih.gov/pubmed/24707225
http://dx.doi.org/10.1155/2014/984591
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AT tyagineha dopinginducedstructuralstabilityandelectronicpropertiesofgannanotubes
AT swaroopkharepurnima dopinginducedstructuralstabilityandelectronicpropertiesofgannanotubes

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