Empirical pseudopotential calculations of the band structure and ballistic conductance of strained [001], [110], and [111] silicon nanowires

Empirical pseudopotential calculations of the band structure and ballistic conductance of strained [001], [110], and [111] silicon nanowires

The electronic band structure of hydrogen passivated, square cross-section, uniaxially strained [001], [110], and [111] silicon nanowires (Si NWs) has been calculated using nonlocal empirical pseudopotentials calibrated to yield the correct work function and benchmarked against first-principles calc...

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Veröffentlicht in:Journal of applied physics 2011-08, Vol.110 (3), p.033716-033716-12
Hauptverfasser: Kim, Jiseok, Fischetti, Massimo V.
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Fischetti, Massimo V.
description The electronic band structure of hydrogen passivated, square cross-section, uniaxially strained [001], [110], and [111] silicon nanowires (Si NWs) has been calculated using nonlocal empirical pseudopotentials calibrated to yield the correct work function and benchmarked against first-principles calculations. We present results regarding the dependence and direct/indirect nature of the bandgap on wire diameter and uniaxial strain as well as the ballistic conductance and effective mass. As a result of practical interest, we have found that the largest ballistic electron conductance occurs for compressively strained large-diameter [001] wires while the smallest transport electron effective mass is found for larger-diameter [110] wires under tensile stress.
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title Empirical pseudopotential calculations of the band structure and ballistic conductance of strained [001], [110], and [111] silicon nanowires
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