DocumentCode
2801249
Title
First-principles modeling of molecular I-Vs and calibration to experiments
Author
Rakshit, T. ; Ghosh, A. ; Geng-Chiau Liang ; Datta, S. ; Damle, P.
Author_Institution
Sch. of Electr. & Comput. Eng., Purdue Univ., West Lafayette, IN, USA
fYear
2004
fDate
24-27 Oct. 2004
Firstpage
106
Lastpage
107
Abstract
In this paper the authors present a rigorous yet computationally efficient method to analyze capacitance-voltage (C-V) and current-voltage (I-V) characteristics of molecules and molecular wires well-connected to contact(s). This regime of transport where the coupling to electrodes is comparable to or greater than the single-electron charging U, is the well-known self-consistent field regime.
Keywords
electronic structure; molecular electronics; capacitance-voltage characteristics; computationally efficient method; current-voltage characteristics; electrode coupling; first-principles modeling; molecular I-V modelling; molecular wires; molecules modelling; self-consistent field regime; single-electron charging; Molecular electronics;
fLanguage
English
Publisher
ieee
Conference_Titel
Computational Electronics, 2004. IWCE-10 2004. Abstracts. 10th International Workshop on
Conference_Location
West Lafayette, IN, USA
Print_ISBN
0-7803-8649-3
Type
conf
DOI
10.1109/IWCE.2004.1407347
Filename
1407347
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