Open AccessFromab initioproperties of the Si-SiO2interface, to electrical characteristics of metal-oxide-semiconductor devices
Author(s) -
Stanislav Markov,
Peter V. Sushko,
C. Fiegna,
Enrico Sangiorgi,
A. L. Shluger,
A. Asenov
Publication year - 2010
Publication title -
journal of physics conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/242/1/012010
Subject(s) - materials science , ab initio , oxide , interface (matter) , semiconductor , metal , silicon , ab initio quantum chemistry methods , engineering physics , optoelectronics , chemical physics , condensed matter physics , computational chemistry , nanotechnology , chemistry , metallurgy , molecule , composite material , physics , organic chemistry , capillary number , capillary action
The gradual transition of the band-gap at the Si-SiO2 interface affects quantisation and leakage characteristics of MOS inversion layer. We establish a link between first principles DFT simulations of the interface, and continuum simulations in the effective mass approximation, in order to obtain a realistic description of the band-gap transition for device modelling. The simplistic approach of obtaining real-space-dependent band-gap profile from the ab initio calculated electronic structure results in uncertainty of the simulated device characteristics. This uncertainty is small however, when compared to the magnitude of the simulated impact of the transition layer. A linear transition of the band-gap over 6 - 7 in the oxide approximates well the effects simulated with the realistic band-gap profile from DFT. © 2010 IOP Publishing Ltd.Link_to_subscribed_fulltex
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