Comparative analysis of pseudo-potential and tight-binding band structure calculations with an analytical two-band k-p model: conduction band of silicon

Viktor A. Sverdlov; Hans Kosina; Siegfried Selberherr

doi:10.1117/12.802503

29 April 2008 Comparative analysis of pseudo-potential and tight-binding band structure calculations with an analytical two-band k•p model: conduction band of silicon

Viktor A. Sverdlov, Hans Kosina, Siegfried Selberherr

Author Affiliations +

Proceedings Volume 7025, Micro- and Nanoelectronics 2007; 70251I (2008) https://doi.org/10.1117/12.802503
Event: Micro- and Nanoelectronics 2007, 2007, Zvenigorod, Russian Federation

Abstract

An analytical two-band k•p model for the conduction band of silicon is compared with the numerical nonlocal empirical pseudo-potential method and the sp³d⁵s* nearest-neighbor tight-binding model. The two-band k•p model gives results consistent with the empirical pseudo-potential method and describes the conduction band structure accurately. The tight-binding model overestimates the gap between the two lowest conduction bands at the valley minima, which results in an underestimation of the non-parabolicity effects. When shear strain is introduced, the two-band k•p model predicts an analytical expression for the strain-dependence of the band structure, which is in good agreement with results of pseudo-potential simulations.

Citation Download Citation

Viktor A. Sverdlov, Hans Kosina, and Siegfried Selberherr "Comparative analysis of pseudo-potential and tight-binding band structure calculations with an analytical two-band k•p model: conduction band of silicon", Proc. SPIE 7025, Micro- and Nanoelectronics 2007, 70251I (29 April 2008); https://doi.org/10.1117/12.802503

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