Bulletin of the American Physical Society
APS March Meeting 2010
Volume 55, Number 2
Monday–Friday, March 15–19, 2010; Portland, Oregon
Session H14: Focus Session: Transport Properties of Nanostructures III: Theory and Computation I
8:00 AM–11:00 AM,
Tuesday, March 16, 2010
Sponsoring Unit: DMP
Chair: Jeffrey Neaton, Lawrence Berkeley National Laboratory
Abstract ID: BAPS.2010.MAR.H14.8
Abstract: H14.00008 : Electronic transport properties of nano-scale Si films: an ab initio study*
9:48 AM–10:00 AM
Preview Abstract Abstract
Using a recently developed first principles transport package, we study the electronic transport properties of Si films contacted to heavily doped n-type Si leads. The quantum transport analysis is carried out using density functional theory (DFT) combined with nonequilibrium Green's functions (NEGF). This particular combination of NEGF-DFT allows the investigation of Si films with thicknesses in the range of a few nanometers and lengths up to tens of nanometers. We calculate the conductance, the momentum resolved transmission, the potential profile and the screening length as a function of length, thickness, orientation and surface structure. Moreover, we compare the properties of Si films with and without a top surface passivation by hydrogen.
*The authors acknowledge support from FQRNT, NSERC, CIFAR and RQCHP.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2010.MAR.H14.8
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