Electronic Resource
Woodbury, NY
:
American Institute of Physics (AIP)
Applied Physics Letters
68 (1996), S. 625-627
ISSN:
1077-3118
Source:
AIP Digital Archive
Topics:
Physics
Notes:
We present a first-principles investigation of the structural properties of two models for the Si(001)–SiO2 interface. The models derive from attaching tridymite, a crystalline form of SiO2, to Si(001), and then allowing for full relaxation. These models do not show electronic states in the silicon gap, as required by electrical experiments. They contain the three intermediate oxidation states of silicon, consistent with photoemission experiments. We study bond length and bond angle distributions and measures of local strain. The strain is localized to a transition region at the interface. Strain does not persist in the full oxide. © 1996 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.116489
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