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Article: Capacitance, induced charges, and bound states of biased carbon nanotube systems

TitleCapacitance, induced charges, and bound states of biased carbon nanotube systems
Authors
KeywordsPhysics
Issue Date2004
PublisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/
Citation
Physical Review B (Condensed Matter and Materials Physics), 2004, v. 69, p. 115418:1-16 How to Cite?
AbstractAlthough it has long been known that the classical notions of capacitance need modification at the nanoscale, in order to account for important quantum effects, very few first-principles investigations of these properties exist for any real material systems. Here we present the results of a large-scale ab initio investigation of the capacitance properties of carbon nanotube systems. The simulations are based on a recently developed real-space nonequilibrium Green's-function approach, with special attention being paid to the treatment of the bound states present in the system. In addition, use has been made of a symmetry decomposition scheme for the charge density. This is needed both to speed up the calculations and in order to study the origins of the induced charges. Specific systems investigated include two and three nested nanotube shells, the insertion of a capped nanotube into another, a connected (12,0)/(6,6) nanotube junction, and the properties of a nanotube acting as a probe over a flat aluminum surface. First-principles estimates of the capacitance matrix coefficients for all these systems are provided, along with a discussion of the quantum corrections. For the case of the nanotube junction, the numerical value of the capacitance is sufficiently high, as to be useful for future device applications.
Persistent Identifierhttp://hdl.handle.net/10722/43472
ISSN
2014 Impact Factor: 3.736
2015 SCImago Journal Rankings: 1.933
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorPomorski, Pen_HK
dc.contributor.authorPastewka, Len_HK
dc.contributor.authorRoland, Cen_HK
dc.contributor.authorGuo, Hen_HK
dc.contributor.authorWang, Jen_HK
dc.date.accessioned2007-03-23T04:46:21Z-
dc.date.available2007-03-23T04:46:21Z-
dc.date.issued2004en_HK
dc.identifier.citationPhysical Review B (Condensed Matter and Materials Physics), 2004, v. 69, p. 115418:1-16en_HK
dc.identifier.issn1098-0121en_HK
dc.identifier.urihttp://hdl.handle.net/10722/43472-
dc.description.abstractAlthough it has long been known that the classical notions of capacitance need modification at the nanoscale, in order to account for important quantum effects, very few first-principles investigations of these properties exist for any real material systems. Here we present the results of a large-scale ab initio investigation of the capacitance properties of carbon nanotube systems. The simulations are based on a recently developed real-space nonequilibrium Green's-function approach, with special attention being paid to the treatment of the bound states present in the system. In addition, use has been made of a symmetry decomposition scheme for the charge density. This is needed both to speed up the calculations and in order to study the origins of the induced charges. Specific systems investigated include two and three nested nanotube shells, the insertion of a capped nanotube into another, a connected (12,0)/(6,6) nanotube junction, and the properties of a nanotube acting as a probe over a flat aluminum surface. First-principles estimates of the capacitance matrix coefficients for all these systems are provided, along with a discussion of the quantum corrections. For the case of the nanotube junction, the numerical value of the capacitance is sufficiently high, as to be useful for future device applications.en_HK
dc.format.extent1078132 bytes-
dc.format.extent25600 bytes-
dc.format.mimetypeapplication/pdf-
dc.format.mimetypeapplication/msword-
dc.languageengen_HK
dc.publisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/en_HK
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License-
dc.rightsPhysical Review B (Condensed Matter and Materials Physics). Copyright © American Physical Society.en_HK
dc.subjectPhysicsen_HK
dc.titleCapacitance, induced charges, and bound states of biased carbon nanotube systemsen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1098-0121&volume=69&spage=115418:1&epage=16&date=2004&atitle=Capacitance,+induced+charges,+and+bound+states+of+biased+carbon+nanotube+systemsen_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1103/PhysRevB.69.115418en_HK
dc.identifier.scopuseid_2-s2.0-2142824262-
dc.identifier.hkuros98065-
dc.identifier.isiWOS:000220814000132-

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