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Article: Structural and transport properties of aluminum atomic wires

TitleStructural and transport properties of aluminum atomic wires
Authors
KeywordsPhysics
Issue Date1998
PublisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/
Citation
Physical Review B (Condensed Matter), 1998, v. 58 n. 19, p. 13138-13145 How to Cite?
AbstractWe report a first-principles calculation of structural properties and quantum conductance of aluminum atomic wires. Our data together with a simple model allows us to predict the behavior of the elastic constant C11 as a function of the cross-sectional size of the free-standing wires. The quantum molecular dynamics, performed at both 0 and 300 K, provides information concerning the stability of these atomic wires. For the most stable wire, relaxation at 0 K causes a change of approximately 2-4 % in atomic positions, and room temperature contributes another 4–6 %. We obtain the quantum conductance of these wires by combining density functional theory and a three-dimensional evaluation of the scattering matrix. The structures obtained from the quantum molecular-dynamics simulations are examined and transport properties compared.
Persistent Identifierhttp://hdl.handle.net/10722/43244
ISSN
2001 Impact Factor: 3.07
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorTaraschi, Gen_HK
dc.contributor.authorMozos, JLen_HK
dc.contributor.authorWan, CCen_HK
dc.contributor.authorGuo, Hen_HK
dc.contributor.authorWang, Jen_HK
dc.date.accessioned2007-03-23T04:42:04Z-
dc.date.available2007-03-23T04:42:04Z-
dc.date.issued1998en_HK
dc.identifier.citationPhysical Review B (Condensed Matter), 1998, v. 58 n. 19, p. 13138-13145en_HK
dc.identifier.issn0163-1829en_HK
dc.identifier.urihttp://hdl.handle.net/10722/43244-
dc.description.abstractWe report a first-principles calculation of structural properties and quantum conductance of aluminum atomic wires. Our data together with a simple model allows us to predict the behavior of the elastic constant C11 as a function of the cross-sectional size of the free-standing wires. The quantum molecular dynamics, performed at both 0 and 300 K, provides information concerning the stability of these atomic wires. For the most stable wire, relaxation at 0 K causes a change of approximately 2-4 % in atomic positions, and room temperature contributes another 4–6 %. We obtain the quantum conductance of these wires by combining density functional theory and a three-dimensional evaluation of the scattering matrix. The structures obtained from the quantum molecular-dynamics simulations are examined and transport properties compared.en_HK
dc.format.extent1066391 bytes-
dc.format.extent25600 bytes-
dc.format.extent5108 bytes-
dc.format.mimetypeapplication/pdf-
dc.format.mimetypeapplication/msword-
dc.format.mimetypetext/plain-
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). Copyright © American Physical Society.en_HK
dc.subjectPhysicsen_HK
dc.titleStructural and transport properties of aluminum atomic wiresen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0163-1829&volume=58&issue=19&spage=13138&epage=13145&date=1998&atitle=Structural+and+transport+properties+of+aluminum+atomic+wiresen_HK
dc.description.naturepublished_or_final_versionen_HK
dc.identifier.doi10.1103/PhysRevB.58.13138en_HK
dc.identifier.scopuseid_2-s2.0-0000316606-
dc.identifier.hkuros38932-
dc.identifier.isiWOS:000077295500093-

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