Title :
Electronic properties of nanosize GNRs: The role of the anchoring groups
Author :
García, T. ; Rodríguez-Bolívar, S. ; Campos, F. M Gómez ; Carceller, J.E. ; López-Villanueva, J.A. ; De Cienfuegos, L. Alvarez ; Martin-Lasanta, A. ; Cuerva, J.M. ; Bunuel, E. ; Cárdenas, Diego J.
Author_Institution :
Dept. of Electron. & Comput. Technol., UGR, Granada, Spain
Abstract :
The electronic behavior of organic molecules, which could be considered as basic blocks of graphene nanoribbons, has been studied using Density Functional Theory and Non-Equilibrium Green Functions approaches. We have focused on the role that plays the molecule-metal contact, for this reason different configurations in the number and position of the contacts have been considered. We have noticed that the direct electron transport through the molecule is bigger than the diagonal one and the elimination of the π-cloud in the central benzene of the anthracene molecule involves important changes in the behavior of the whole device.
Keywords :
Fermi level; Green´s function methods; density functional theory; graphene; nanostructured materials; C; anchoring groups; anthracene molecule; benzene; density functional theory; electron transport; electronic properties; molecule-metal contact; nanosize graphene nanoribbons; nonequilibrium Green function approach; Gold; Green function; Junctions; Scattering; Transistors; Wave functions; DFT; NEGF; eigenchannel; graphene;
Conference_Titel :
Electron Devices (CDE), 2011 Spanish Conference on
Conference_Location :
Palma de Mallorca
Print_ISBN :
978-1-4244-7863-7
DOI :
10.1109/SCED.2011.5744245
