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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| Format: | Article |
| Language: | English |
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Wiley
2014-01-01
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| Series: | The Scientific World Journal |
| Online Access: | http://dx.doi.org/10.1155/2014/984591 |
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| author | Anurag Srivastava Mohammad Irfan Khan Neha Tyagi Purnima Swaroop Khare |
| author_facet | Anurag Srivastava Mohammad Irfan Khan Neha Tyagi Purnima Swaroop Khare |
| author_sort | Anurag Srivastava |
| collection | DOAJ |
| 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. |
| format | Article |
| id | doaj-art-f2ed9d8748ba41ccae3919764400ab12 |
| institution | Kabale University |
| issn | 2356-6140 1537-744X |
| language | English |
| publishDate | 2014-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | The Scientific World Journal |
| spelling | doaj-art-f2ed9d8748ba41ccae3919764400ab122025-02-03T05:48:27ZengWileyThe Scientific World Journal2356-61401537-744X2014-01-01201410.1155/2014/984591984591Doping Induced Structural Stability and Electronic Properties of GaN NanotubesAnurag Srivastava0Mohammad Irfan Khan1Neha Tyagi2Purnima Swaroop Khare3Advanced Materials Research Group, Computational Nano Science & Technology Lab, ABV-Indian Institute of Information Technology & Management Gwalior (M.P.) 474015, IndiaAdvanced Materials Research Group, Computational Nano Science & Technology Lab, ABV-Indian Institute of Information Technology & Management Gwalior (M.P.) 474015, IndiaAdvanced Materials Research Group, Computational Nano Science & Technology Lab, ABV-Indian Institute of Information Technology & Management Gwalior (M.P.) 474015, IndiaSchool of Nanotechnology, Rajiv Gandhi Proudyogiki Vishwavidyalaya Bhopal (M.P.) 462033, IndiaThe 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.http://dx.doi.org/10.1155/2014/984591 |
| spellingShingle | Anurag Srivastava Mohammad Irfan Khan Neha Tyagi Purnima Swaroop Khare Doping Induced Structural Stability and Electronic Properties of GaN Nanotubes The Scientific World Journal |
| 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 |
| url | http://dx.doi.org/10.1155/2014/984591 |
| work_keys_str_mv | AT anuragsrivastava dopinginducedstructuralstabilityandelectronicpropertiesofgannanotubes AT mohammadirfankhan dopinginducedstructuralstabilityandelectronicpropertiesofgannanotubes AT nehatyagi dopinginducedstructuralstabilityandelectronicpropertiesofgannanotubes AT purnimaswaroopkhare dopinginducedstructuralstabilityandelectronicpropertiesofgannanotubes |