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Conference Paper: Huckel I-V 3.0: A self-consistent model for molecular transport and its applications

TitleHuckel I-V 3.0: A self-consistent model for molecular transport and its applications
Authors
Zahid, FPaulsson, MPolizzi, EGhosh, AWSiddiqui, LDatta, S
KeywordsCurrent Voltage Characteristics
Electrodes
Finite Element Method
Green's Function
Mathematical Models
Molecular Dynamics
Mosfet Devices
Paraffins
Poisson Equation
Issue Date2004
Citation
2004 10Th International Workshop On Computational Electronics, Ieee Iwce-10 2004, Abstracts, 2004, p. 102-103 How to Cite?
AbstractThe use of Huckel I-V 3.0 a self-consistent model for investigating the origin of asymmetry in the current-voltage (I-V) characteristics for molecular transport was decribed. Three terminal calculations on single molecules were performed to show the strength of model. The self-consistent potential in Huckel I-V 3.0 incorporates both the charging and screening effects inside the molecule under applied bias and it retains the spatial features of the potential profile. The results show that the such asymmetry arises due to unequal coupling with the contacts which generates asymmetry in charging.
Persistent Identifierhttp://hdl.handle.net/10722/132527

 

DC FieldValueLanguage
dc.contributor.authorZahid, Fen_HK
dc.contributor.authorPaulsson, Men_HK
dc.contributor.authorPolizzi, Een_HK
dc.contributor.authorGhosh, AWen_HK
dc.contributor.authorSiddiqui, Len_HK
dc.contributor.authorDatta, Sen_HK
dc.date.accessioned2011-03-28T09:25:50Z-
dc.date.available2011-03-28T09:25:50Z-
dc.date.issued2004en_HK
dc.identifier.citation2004 10Th International Workshop On Computational Electronics, Ieee Iwce-10 2004, Abstracts, 2004, p. 102-103en_HK
dc.identifier.urihttp://hdl.handle.net/10722/132527-
dc.description.abstractThe use of Huckel I-V 3.0 a self-consistent model for investigating the origin of asymmetry in the current-voltage (I-V) characteristics for molecular transport was decribed. Three terminal calculations on single molecules were performed to show the strength of model. The self-consistent potential in Huckel I-V 3.0 incorporates both the charging and screening effects inside the molecule under applied bias and it retains the spatial features of the potential profile. The results show that the such asymmetry arises due to unequal coupling with the contacts which generates asymmetry in charging.en_HK
dc.languageengen_US
dc.relation.ispartof2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstractsen_HK
dc.subjectCurrent Voltage Characteristicsen_US
dc.subjectElectrodesen_US
dc.subjectFinite Element Methoden_US
dc.subjectGreen's Functionen_US
dc.subjectMathematical Modelsen_US
dc.subjectMolecular Dynamicsen_US
dc.subjectMosfet Devicesen_US
dc.subjectParaffinsen_US
dc.subjectPoisson Equationen_US
dc.titleHuckel I-V 3.0: A self-consistent model for molecular transport and its applicationsen_HK
dc.typeConference_Paperen_HK
dc.identifier.emailZahid, F: fzahid@hku.hken_HK
dc.identifier.authorityZahid, F=rp01472en_HK
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.scopuseid_2-s2.0-21844473290en_HK
dc.identifier.spage102en_HK
dc.identifier.epage103en_HK
dc.identifier.scopusauthoridZahid, F=8568996000en_HK
dc.identifier.scopusauthoridPaulsson, M=7102181342en_HK
dc.identifier.scopusauthoridPolizzi, E=6603213782en_HK
dc.identifier.scopusauthoridGhosh, AW=7403963862en_HK
dc.identifier.scopusauthoridSiddiqui, L=8652514000en_HK
dc.identifier.scopusauthoridDatta, S=7401498317en_HK

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