DSpace Repository

(Formula Presented) Algorithms In Tight-Binding Molecular-Dynamics Simulations of the Electronic Structure of Carbon Nanotubes

Show simple item record

dc.contributor.author Dereli, Gülay
dc.contributor.author Özdoğan, Cem
dc.date.accessioned 2020-04-26T21:37:24Z
dc.date.available 2020-04-26T21:37:24Z
dc.date.issued 2003
dc.identifier.citation Dereli, G., Özdoğan, C. "(Formula Presented) Algorithms In Tight-Binding Molecular-Dynamics Simulations of the Electronic Structure of Carbon Nanotubes", Physical Review B - Condensed Matter and Materials Physics, Vol. 67, No 3, pp. 7, (2003). tr_TR
dc.identifier.issn 10980121
dc.identifier.uri http://hdl.handle.net/20.500.12416/3408
dc.description.abstract The (formula presented) and parallelization techniques have been successfully applied in tight-binding molecular-dynamics simulations of single-walled carbon nanotubes (SWNT’s) of various chiralities. The accuracy of the (formula presented) description is found to be enhanced by the use of basis functions of neighboring atoms (buffer). The importance of buffer size in evaluating the simulation time, total energy, and force values together with electronic temperature has been shown. Finally, through the local density of state results, the metallic and semiconducting behavior of (formula presented) armchair and (formula presented) zigzag SWNT’s, respectively, has been demonstrated. © 2003 The American Physical Society. tr_TR
dc.language.iso eng tr_TR
dc.publisher Physical Review B - Condensed Matter and Materials Physics tr_TR
dc.relation.isversionof 10.1103/PhysRevB.67.035415 tr_TR
dc.rights info:eu-repo/semantics/closedAccess tr_TR
dc.subject Nanotubes tr_TR
dc.subject Yarn tr_TR
dc.subject Carbon nanotubes tr_TR
dc.title (Formula Presented) Algorithms In Tight-Binding Molecular-Dynamics Simulations of the Electronic Structure of Carbon Nanotubes tr_TR
dc.type article tr_TR
dc.relation.journal Physical Review B - Condensed Matter and Materials Physics tr_TR
dc.contributor.authorID 40569 tr_TR
dc.identifier.volume 67 tr_TR
dc.identifier.issue 3 tr_TR
dc.identifier.startpage 7 tr_TR
dc.contributor.department Çankaya Üniversitesi, Mühendislik Fakültesi, Bilgisayar Mühendisliği Bölümü tr_TR


Files in this item

Files Size Format View

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record