First-principles study of electron transport through C20 cages
Abstract
Electron transport properties of C20 molecules suspended between gold electrodes are investigated using first-principles calculations. Our study reveals that the conductances are quite sensitive to the number of C20 molecules between electrodes: the conductances of C20 monomers are near 1G0, while those of dimers are markedly smaller, since incident electrons easily pass the C20 molecules and are predominantly scattered at the C20-C20 junctions. Moreover, we find both channel currents locally circulating the outermost carbon atoms.
- Publication:
-
Physical Review B
- Pub Date:
- March 2004
- DOI:
- 10.1103/PhysRevB.69.121408
- arXiv:
- arXiv:cond-mat/0311186
- Bibcode:
- 2004PhRvB..69l1408O
- Keywords:
-
- 73.40.-c;
- 72.80.-r;
- 85.65.+h;
- Electronic transport in interface structures;
- Conductivity of specific materials;
- Molecular electronic devices;
- Condensed Matter
- E-Print:
- 8 pages and 3 figures