Effect of Nitrogen Impurity on Electronic Properties of Boron Nanotubes
For the first time we present electronic band structure and density of states for nitrogen doped hexagonal ultrathin boron nanotubes in the framework of density functional theory. The considered models of nanotubes below 5 Å diameter are armchair (3,3), zigzag (5,0), and chiral (4,2). The impurity c...
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Wiley
2014-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2014/706218 |
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| author | Sandeep Kumar Jain Pankaj Srivastava |
| author_facet | Sandeep Kumar Jain Pankaj Srivastava |
| author_sort | Sandeep Kumar Jain |
| collection | DOAJ |
| description | For the first time we present electronic band structure and density of states for nitrogen doped hexagonal ultrathin boron nanotubes in the framework of density functional theory. The considered models of nanotubes below 5 Å diameter are armchair (3,3), zigzag (5,0), and chiral (4,2). The impurity chosen for the study is nitrogen and concentration of impurity atoms is limited to two. The study reveals that (3,3) BNT retains its metallic nature after nitrogen doping. However, metallicity gets increased which is attributed by the excess electrons of nitrogen. Further, it also brings out that (5,0) BNT which is originally metal transforms into semiconductor after nitrogen interaction and the band gap at G point increases with the impurity. Moreover, the band gap of (4,2) BNT reduces significantly and turns into semimetal for nitrogen doping. Thus, the nitrogen impurity has the predominant effect on the electronic properties of BNTs and therefore can be regarded as suitable candidates for nanoelectronic and field emission devices. |
| format | Article |
| id | doaj-art-fd1800bc0c1a489bb0ba5fa83b2b88ab |
| institution | OA Journals |
| issn | 1687-8108 1687-8124 |
| language | English |
| publishDate | 2014-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Condensed Matter Physics |
| spelling | doaj-art-fd1800bc0c1a489bb0ba5fa83b2b88ab2025-08-20T02:22:40ZengWileyAdvances in Condensed Matter Physics1687-81081687-81242014-01-01201410.1155/2014/706218706218Effect of Nitrogen Impurity on Electronic Properties of Boron NanotubesSandeep Kumar Jain0Pankaj Srivastava1Nanomaterials Research Group, Computational Nanoscience & Technology Lab, ABV-Indian Institute of Information Technology & Management, Morena Link Road, Gwalior 474015, IndiaNanomaterials Research Group, Computational Nanoscience & Technology Lab, ABV-Indian Institute of Information Technology & Management, Morena Link Road, Gwalior 474015, IndiaFor the first time we present electronic band structure and density of states for nitrogen doped hexagonal ultrathin boron nanotubes in the framework of density functional theory. The considered models of nanotubes below 5 Å diameter are armchair (3,3), zigzag (5,0), and chiral (4,2). The impurity chosen for the study is nitrogen and concentration of impurity atoms is limited to two. The study reveals that (3,3) BNT retains its metallic nature after nitrogen doping. However, metallicity gets increased which is attributed by the excess electrons of nitrogen. Further, it also brings out that (5,0) BNT which is originally metal transforms into semiconductor after nitrogen interaction and the band gap at G point increases with the impurity. Moreover, the band gap of (4,2) BNT reduces significantly and turns into semimetal for nitrogen doping. Thus, the nitrogen impurity has the predominant effect on the electronic properties of BNTs and therefore can be regarded as suitable candidates for nanoelectronic and field emission devices.http://dx.doi.org/10.1155/2014/706218 |
| spellingShingle | Sandeep Kumar Jain Pankaj Srivastava Effect of Nitrogen Impurity on Electronic Properties of Boron Nanotubes Advances in Condensed Matter Physics |
| title | Effect of Nitrogen Impurity on Electronic Properties of Boron Nanotubes |
| title_full | Effect of Nitrogen Impurity on Electronic Properties of Boron Nanotubes |
| title_fullStr | Effect of Nitrogen Impurity on Electronic Properties of Boron Nanotubes |
| title_full_unstemmed | Effect of Nitrogen Impurity on Electronic Properties of Boron Nanotubes |
| title_short | Effect of Nitrogen Impurity on Electronic Properties of Boron Nanotubes |
| title_sort | effect of nitrogen impurity on electronic properties of boron nanotubes |
| url | http://dx.doi.org/10.1155/2014/706218 |
| work_keys_str_mv | AT sandeepkumarjain effectofnitrogenimpurityonelectronicpropertiesofboronnanotubes AT pankajsrivastava effectofnitrogenimpurityonelectronicpropertiesofboronnanotubes |