Identifying contact effects in electronic conduction through buckyballs on silicon

Abstract

We present a theory of current conduction through buckyball(C60) molecules on silicon by coupling a density functional treatment of the molecular levels embedded in silicon with a non-equilibrium Green's function (NEGF) treatment of quantum transport. Several experimental variations in conductance-voltage(G-V) characteristics are quantitatively accounted for by varying the detailed molecule-silicon bonding geometries. We identify how variations in contact surface microstructure influence the number, positions and shapes of the conductance peaks, while varying separations of the scanning probe from the molecules influence their peak amplitudes.

References in corpus (4)

• Density functional method for nonequilibrium electron transport
• Electrical generation and absorption of phonons in carbon nanotubes
• Silicon-based molecular electronics
• Tuning Negative Differential Resistance in a Molecular Film

Cited by in corpus (6)

• Extended Huckel theory for bandstructure, chemistry and transport. I. Carbon Nanotubes
• Extended Huckel theory for bandstructure, chemistry, and transport. II. Silicon
• Theoretical study of isolated dangling bonds, dangling bond wires and dangling bond clusters on H:Si(100)-(2$\times$1) surface
• Theory of high bias Coulomb Blockade in ultrashort molecules
• Incoherent Transport through Molecules on Silicon in the vicinity of a Dangling Bond
• Synthesis and electrical properties of fullerene-based molecular junctions on silicon substrate