Structural and tunneling properties of Si nanowires

Handle URI:
http://hdl.handle.net/10754/315683
Title:
Structural and tunneling properties of Si nanowires
Authors:
Montes Muñoz, Enrique ( 0000-0002-7852-7350 ) ; Gkionis, Konstantinos; Rungger, Ivan; Sanvito, Stefano; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
We investigate the electronic structure and electron transport properties of Si nanowires attached to Au electrodes from first principles using density functional theory and the nonequilibrium Green's function method. We systematically study the dependence of the transport properties on the diameter of the nanowires, on the growth direction, and on the length. At the equilibrium Au-nanowire distance we find strong electronic coupling between the electrodes and nanowires, which results in a low contact resistance. With increasing nanowire length we study the transition from metallic to tunneling conductance for small applied bias. For the tunneling regime we investigate the decay of the conductance with the nanowire length and rationalize the results using the complex band structure of the pristine nanowires. The conductance is found to depend strongly on the growth direction, with nanowires grown along the ⟨110⟩ direction showing the smallest decay with length and the largest conductance and current.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Montes E, Gkionis K, Rungger I, Sanvito S, Schwingenschlögl U (2013) Structural and tunneling properties of Si nanowires. Phys Rev B 88. doi:10.1103/PhysRevB.88.235411.
Publisher:
American Physical Society (APS)
Journal:
Physical Review B
Issue Date:
6-Dec-2013
DOI:
10.1103/PhysRevB.88.235411
Type:
Article
ISSN:
1098-0121; 1550-235X
Additional Links:
http://link.aps.org/doi/10.1103/PhysRevB.88.235411
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorMontes Muñoz, Enriqueen
dc.contributor.authorGkionis, Konstantinosen
dc.contributor.authorRungger, Ivanen
dc.contributor.authorSanvito, Stefanoen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2014-04-13T07:14:04Z-
dc.date.available2014-04-13T07:14:04Z-
dc.date.issued2013-12-06en
dc.identifier.citationMontes E, Gkionis K, Rungger I, Sanvito S, Schwingenschlögl U (2013) Structural and tunneling properties of Si nanowires. Phys Rev B 88. doi:10.1103/PhysRevB.88.235411.en
dc.identifier.issn1098-0121en
dc.identifier.issn1550-235Xen
dc.identifier.doi10.1103/PhysRevB.88.235411en
dc.identifier.urihttp://hdl.handle.net/10754/315683en
dc.description.abstractWe investigate the electronic structure and electron transport properties of Si nanowires attached to Au electrodes from first principles using density functional theory and the nonequilibrium Green's function method. We systematically study the dependence of the transport properties on the diameter of the nanowires, on the growth direction, and on the length. At the equilibrium Au-nanowire distance we find strong electronic coupling between the electrodes and nanowires, which results in a low contact resistance. With increasing nanowire length we study the transition from metallic to tunneling conductance for small applied bias. For the tunneling regime we investigate the decay of the conductance with the nanowire length and rationalize the results using the complex band structure of the pristine nanowires. The conductance is found to depend strongly on the growth direction, with nanowires grown along the ⟨110⟩ direction showing the smallest decay with length and the largest conductance and current.en
dc.language.isoenen
dc.publisherAmerican Physical Society (APS)en
dc.relation.urlhttp://link.aps.org/doi/10.1103/PhysRevB.88.235411en
dc.rightsArchived with thanks to Physical Review Ben
dc.titleStructural and tunneling properties of Si nanowiresen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalPhysical Review Ben
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionSchool of Physics, CRANN, Trinity College, Dublin 2, Irelanden
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorGkionis, Konstantinosen
kaust.authorSchwingenschlögl, Udoen
kaust.authorMontes Muñoz, Enriqueen
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