Electron transport in nano-gold-silicon interfaces Conference Paper

abstract

• The electron transport characteristics of gold-silicon interfaces are studied using a combined ab initio approach of the Green's function for electron transfer and quantum density functional theory (DFT) for finite and extended systems. The Kohn-Sham Hamiltonian of an extended cluster or molecule and the density of states (DOS) of bulk Si and Au are used to construct the interface Hamiltonian to obtain the DOS, electron transmission, and current-voltage characteristics of the interface. Diode behavior is observed with electron conduction when the gold side is positively biased with a threshold of 0.8 V. The presence of molecules trapped at the interface and the geometry of the metal atoms strongly affect the conductance, implying difficult or even impossible theory-experiment validations. 2006 Wiley Periodicals, Inc.

authors

• Seminario, Jorge

published proceedings

• INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

author list (cited authors)

• Yan, L., & Seminario, J. M.

citation count

• 34

complete list of authors

• Yan, Liuming||Seminario, Jorge M

publication date

• February 2007

publisher

• Wiley  Publisher

published in

• INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY  Journal

keywords

• Density Functional Theory
• Electron Transport
• Green's Function
• Molecular Electronics
• Nanoelectronics
• Sensors

Digital Object Identifier (DOI)

• 10.1002/qua.21074

start page

• 440

end page

• 450

volume

• 107

issue

• 2

URL

• http%3A%2F%2Fdx.doi.org%2F10.1002%2Fqua.21074