ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We have investigated theoretically the initial reaction of nitric oxide (NO) with the Si(001)(2×1) surface, followed by N and O insertion into the silicon film during the initial growth of the oxynitride film. We use quantum chemical [ab initio and density functional theory (DFT) cluster approach] and solid state physics (DFT with periodic boundary conditions) computational methods. Our study suggests a low barrier reaction path for NO decomposition on the Si(100)(2×1) reconstructed silicon surface. © 2000 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1316040