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<article article-type="research-article" dtd-version="1.3" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xml:lang="en"><front><journal-meta><journal-id journal-id-type="publisher-id">najo</journal-id><journal-title-group><journal-title xml:lang="en">Nanosystems: Physics, Chemistry, Mathematics</journal-title><trans-title-group xml:lang="ru"><trans-title>Наносистемы: физика, химия, математика</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">2220-8054</issn><issn pub-type="epub">2305-7971</issn><publisher><publisher-name>Университет ИТМО</publisher-name></publisher></journal-meta><article-meta><article-id custom-type="elpub" pub-id-type="custom">najo-1311</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="en"><subject>PAPERS, PRESENTED AT MAM-12</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>PAPERS, PRESENTED AT MAM-12</subject></subj-group></article-categories><title-group><article-title>The effects of defects on electron transport in metallic single wall carbon nanotubes</article-title><trans-title-group xml:lang="ru"><trans-title></trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="western" xml:lang="en"><surname>Sivasathya</surname><given-names>S.</given-names></name></name-alternatives><bio xml:lang="en"><p>Department of Physics and Nanotechnology</p></bio><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="western" xml:lang="en"><surname>Thiruvadigal</surname><given-names>D. John</given-names></name></name-alternatives><bio xml:lang="en"><p>Department of Physics and Nanotechnology</p></bio><email xlink:type="simple">john.d@ktr.srmuniv.ac.in</email><xref ref-type="aff" rid="aff-1"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="en">Centre for Material Sciences and Nanodevices, SRM University, Kattankulathur&#13;
Tamilnadu<country>India</country></aff></aff-alternatives><pub-date pub-type="collection"><year>2013</year></pub-date><pub-date pub-type="epub"><day>21</day><month>08</month><year>2025</year></pub-date><volume>4</volume><issue>3</issue><fpage>405</fpage><lpage>408</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Sivasathya S., Thiruvadigal D.J., 2025</copyright-statement><copyright-year>2025</copyright-year><copyright-holder xml:lang="ru">Sivasathya S., Thiruvadigal D.J.</copyright-holder><copyright-holder xml:lang="en">Sivasathya S., Thiruvadigal D.J.</copyright-holder><license license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>This work is licensed under a Creative Commons Attribution 4.0 License.</license-p></license></permissions><self-uri xlink:href="https://nanojournal.ifmo.ru/jour/article/view/1311">https://nanojournal.ifmo.ru/jour/article/view/1311</self-uri><abstract><p>We report the transport behavior of an open-end metallic single wall carbon nanotube (SWCNT) with and without local structural defects using the non-equilibrium Green’s functions approach together with the density functional theory (DFT). The transmission spectra and the projected density of states for the devices such as SWCNT (3, 3), (4, 4), (5, 5) and (6, 6) with and without defects were compared. In all cases, we found that the Stone-Wales defect had an almost negligible impact on the electrical performance compared to the monovacancy defect of the single wall carbon nanotubes at the Fermilevel. The Current-Voltage (I-V) characteristics of the devices were studied using the generalized Landauer - Buttiker formalism under low bias conditions. From our results, we concluded that our systems were suitable for use in various CNT based nano-electronic devices.</p></abstract><kwd-group xml:lang="en"><kwd>Density functional theory</kwd><kwd>Single wall carbon nanotubes</kwd><kwd>Transport properties</kwd><kwd>I-V characteristics</kwd></kwd-group><funding-group xml:lang="en"><funding-statement>The authors are thankful to the financial support from DST-FIST (Government of India) under Ref. No. SR / FST / PSI - 010 / 2010.</funding-statement></funding-group></article-meta></front><back><ref-list><title>References</title><ref id="cit1"><label>1</label><citation-alternatives><mixed-citation xml:lang="ru">S.Ijima. Helical microtubules of graphitic carbon. Nature, 354, P. 56–58 (1991).</mixed-citation><mixed-citation xml:lang="en">S.Ijima. Helical microtubules of graphitic carbon. Nature, 354, P. 56–58 (1991).</mixed-citation></citation-alternatives></ref><ref id="cit2"><label>2</label><citation-alternatives><mixed-citation xml:lang="ru">R.Saito, G.Dresselhaus, M.S.Dresselhaus. Physical properties of carbon nanotubes. Imperial College press, London (1998).</mixed-citation><mixed-citation xml:lang="en">R.Saito, G.Dresselhaus, M.S.Dresselhaus. Physical properties of carbon nanotubes. Imperial College press, London (1998).</mixed-citation></citation-alternatives></ref><ref id="cit3"><label>3</label><citation-alternatives><mixed-citation xml:lang="ru">S.J.Tans, et al. Individual Single wall carbon nanotubes as quantum wires. Nature, 386, P. 474–477 (1997).</mixed-citation><mixed-citation xml:lang="en">S.J.Tans, et al. Individual Single wall carbon nanotubes as quantum wires. Nature, 386, P. 474–477 (1997).</mixed-citation></citation-alternatives></ref><ref id="cit4"><label>4</label><citation-alternatives><mixed-citation xml:lang="ru">Kikuji Hirose, et al. First-principles calculations in real-space formalism. Imperial College Press, London (2005).</mixed-citation><mixed-citation xml:lang="en">Kikuji Hirose, et al. First-principles calculations in real-space formalism. Imperial College Press, London (2005).</mixed-citation></citation-alternatives></ref><ref id="cit5"><label>5</label><citation-alternatives><mixed-citation xml:lang="ru">ATOMISTISTIX TOOL KIT 11.8.2 version, Quantumwise A/S, www.quantumwise.com.</mixed-citation><mixed-citation xml:lang="en">ATOMISTISTIX TOOL KIT 11.8.2 version, Quantumwise A/S, www.quantumwise.com.</mixed-citation></citation-alternatives></ref><ref id="cit6"><label>6</label><citation-alternatives><mixed-citation xml:lang="ru">M.Buttiker, et al. Generalised many-channel conductance formula with application to small rings. Phys. Rev. B, 31, P. 6207 (1985).</mixed-citation><mixed-citation xml:lang="en">M.Buttiker, et al. Generalised many-channel conductance formula with application to small rings. Phys. Rev. B, 31, P. 6207 (1985).</mixed-citation></citation-alternatives></ref><ref id="cit7"><label>7</label><citation-alternatives><mixed-citation xml:lang="ru">Y.V.Shtogun, L.M.Woods. Properties of Carbon Nanotubes under External Factors, Carbon Nanotubes, Jose Mauricio Marulanda (Ed.), USA (2010).</mixed-citation><mixed-citation xml:lang="en">Y.V.Shtogun, L.M.Woods. Properties of Carbon Nanotubes under External Factors, Carbon Nanotubes, Jose Mauricio Marulanda (Ed.), USA (2010).</mixed-citation></citation-alternatives></ref><ref id="cit8"><label>8</label><citation-alternatives><mixed-citation xml:lang="ru">B.C.Pan, et al. Formation energies of topological defects in carbon nanotubes. Phys. Rev. B, 62, P. 12652– 12655 (2000).</mixed-citation><mixed-citation xml:lang="en">B.C.Pan, et al. Formation energies of topological defects in carbon nanotubes. Phys. Rev. B, 62, P. 12652– 12655 (2000).</mixed-citation></citation-alternatives></ref><ref id="cit9"><label>9</label><citation-alternatives><mixed-citation xml:lang="ru">J.B.Neaton, et al. Electron transport and optical properties of carbon nanostructures from first principles. Computer physics communications, 169, P. 1–8 (2005).</mixed-citation><mixed-citation xml:lang="en">J.B.Neaton, et al. Electron transport and optical properties of carbon nanostructures from first principles. Computer physics communications, 169, P. 1–8 (2005).</mixed-citation></citation-alternatives></ref><ref id="cit10"><label>10</label><citation-alternatives><mixed-citation xml:lang="ru">Yingying Zhang, et al. Negative differential resistance behavior of silicon monatomic chain encapsulated in carbon nanotubes. Computational material science, 62, P. 87–92 (2012).</mixed-citation><mixed-citation xml:lang="en">Yingying Zhang, et al. Negative differential resistance behavior of silicon monatomic chain encapsulated in carbon nanotubes. Computational material science, 62, P. 87–92 (2012).</mixed-citation></citation-alternatives></ref></ref-list><fn-group><fn fn-type="conflict"><p>The authors declare that there are no conflicts of interest present.</p></fn></fn-group></back></article>
