From ab initio properties of the Si-Si0₂ interface, to electrical characteristics of metal-oxide-semiconductor devices

Markov, S., Shushko, P., Fiegna, C., Sangiorgi, E., Shluger, A. and Asenov, A. (2010) From ab initio properties of the Si-Si0₂ interface, to electrical characteristics of metal-oxide-semiconductor devices. Journal of Physics: Conference Series, 242(1), (doi: 10.1088/1742-6596/242/1/012010)

Abstract

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 <i>ab initio</i> 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 Å in the oxide approximates well the effects simulated with the realistic band-gap profile from DFT.

• Item Type: Articles
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Markov, Dr Stanislav and Asenov, Professor Asen
• Authors: Markov, S., Shushko, P., Fiegna, C., Sangiorgi, E., Shluger, A., and Asenov, A.
• College/School: College of Science and Engineering > School of Engineering > Electronics and Nanoscale Engineering
• Journal Name: Journal of Physics: Conference Series
• Journal Abbr.: J. Phys. Conf. Ser.
• ISSN: 1742-6588
• ISSN (Online): 1742-6596
• Published Online: 01 January 2010