| Download ( PDF | 207kB) Nur für Mitarbeiter des Archivs |
Incoherent electron-phonon scattering in octanethiols
Pecchia, Alessandro
, Di Carlo, Aldo
, Gagliardi, Alessio, Sanna, Simone, Frauenheim, Thomas
und Gutiérrez, Rafael
(2004)
Incoherent electron-phonon scattering in octanethiols.
Nano Letters 4 (11), S. 2109-2114.
Veröffentlichungsdatum dieses Volltextes: 05 Aug 2009 13:32
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.1742
Zusammenfassung
We investigate the influence of molecular vibrations on the tunneling of electrons through an octane-thiolate sandwiched between two gold contacts. The coherent and incoherent tunneling currents are computed using the non-equilibrium Green's functions formalism. Both the system Hamiltonian and the electron-phonon interaction are obtained from first-principles DFT calculations, including a ...
We investigate the influence of molecular vibrations on the tunneling of electrons through an octane-thiolate sandwiched between two gold contacts. The coherent and incoherent tunneling currents are computed using the non-equilibrium Green's functions formalism. Both the system Hamiltonian and the electron-phonon interaction are obtained from first-principles DFT calculations, including a microscopic treatment of the gold contacts. This method allows to study explicitly the influence of each individual vibrational mode and show a detailed analysis of the power dissipated in the molecular wire.
Alternative Links zum Volltext
Beteiligte Einrichtungen
Details
| Dokumentenart | Artikel | ||||
| Titel eines Journals oder einer Zeitschrift | Nano Letters | ||||
| Verlag: | AMER CHEMICAL SOC | ||||
|---|---|---|---|---|---|
| Ort der Veröffentlichung: | WASHINGTON | ||||
| Band: | 4 | ||||
| Nummer des Zeitschriftenheftes oder des Kapitels: | 11 | ||||
| Seitenbereich: | S. 2109-2114 | ||||
| Datum | 2004 | ||||
| Institutionen | Physik > Institut für Theoretische Physik Physik > Institut für Theoretische Physik > Lehrstuhl Professor Richter > Arbeitsgruppe Klaus Richter | ||||
| Identifikationsnummer |
| ||||
| Stichwörter / Keywords | DENSITY-FUNCTIONAL THEORY; TIGHT-BINDING METHOD; MOLECULAR JUNCTIONS; LOGIC GATES; TRANSPORT; SIMULATIONS; AU(111); DEVICES; WIRES; C-60; | ||||
| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 530 Physik | ||||
| Status | Veröffentlicht | ||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||
| An der Universität Regensburg entstanden | Ja | ||||
| Dokumenten-ID | 1742 |
Downloadstatistik
Downloadstatistik