Journal article
Quantum electronic transport through supported Si29H24 clusters on an ideal Si[111] surface



Publication Details
Authors:
Garcia, M.
Publication year:
2008
Journal:
Journal of Applied Physics
Pages range:
023714
Volume number:
103
ISSN:
0021-8979

Abstract
We report calculations of the current-voltage (I-V) characteristics and the differential conductance of a Si29H24 cluster supported on an ideal Si[111] surface. Firstly, the distance between cluster and surface was optimized using ab initio calculations. Then, the electron transport was calculated by means of an extended Huckel model combined with a self-consistent calculation of the nonequilibrium Green's functions. We find that the bond formation between cluster and surface leads to changes in the density of states of the cluster. The peak associated with this bond is located inside the energy gap of Si[111] diminishing its effect on the I-V characteristics, which exhibits a diodelike behavior. Finally, we determine the conductance spectra and characterize the charge distribution of the states which mainly contribute to transport at different bias voltages. (C) 2008 American Institute of Physics.


Authors/Editors

Last updated on 2019-01-11 at 16:04