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dc.contributor.authorPecchia A
dc.contributor.authorGagliardi A
dc.contributor.authorCarlo A
dc.contributor.authorFrauenheim T
dc.contributor.authorLugli P
dc.contributor.editorIEEE
dc.date.accessioned2019-05-22T13:24:26Z
dc.date.available2019-05-22T13:24:26Z
dc.date.issued2004
dc.identifier.isbn978-0-7803-8536-8
dc.identifier.urihttp://dx.doi.org/10.1109/NANO.2004.1392403
dc.identifier.urihttp://ieeexplore.ieee.org/document/1392403/?arnumber=1392403
dc.identifier.urihttp://hdl.handle.net/10863/9803
dc.description.abstractIn the present work we investigate the influence of molecular vibrations on the tunneling of electrons through a molecular wire, sandwiched in between two gold contacts. The molecular vibrations are treated quantum-mechanically and an electron-phonon coupling is derived starting from a DFT-based Hamiltonian expressed on local orbitals. The electron-phonon coupling is treated in perturbation theory within the non-equilibrium Green's functions formalism and to first order Born approximation. Coherent and incoherent tunneling probabilities are computed from which we deduce that the electron-phonon scattering can be important in molecular wires. ©2004 IEEE.en_US
dc.languageEnglish
dc.language.isoenen_US
dc.publisherIEEEen_US
dc.relation2004 4th IEEE Conference on Nanotechnology ; Munich : 16.8.2004 - 19.8.2004
dc.rights
dc.subjectPhononsen_US
dc.subjectTunnelingen_US
dc.subjectMolecular electronicsen_US
dc.subjectMolecular vibrationsen_US
dc.subjectNonequilibrium Green's function (NEGF)en_US
dc.titleElectron-phonon scattering in molecular wiresen_US
dc.typeBook chapteren_US
dc.date.updated2019-05-22T03:00:45Z
dc.publication.title2004 4th IEEE Conference on Nanotechnology: 16 - 19 August 2004, Munich, Germany
dc.language.isiEN-GB
dc.description.fulltextreserveden_US


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