Table 1

Tight-binding parameters and Harrison’s dimensionless coefficients proposed in this work and compared with original values
Harrison TB parameters Present TB parameters
α C Si C Si
εs −19.38 −14.79 −18.89 −13.5
εp −11.07 −7.59 −10.94 −8.38
β C-C Si-Si Si-C C-C Si-Si Si-C
ηs,s,σ −1.32 −1.32 −1.32 −0.93 −1.48 −1.11
ηs,p,σ 1.42 1.42 1.42 0.94 1.19 0.95
ηp,p,σ 2.22 2.22 2.22 1.03 1.18 0.99
ηp,p,Π −0.63 −0.63 −0.63 −0.59 −0.41 −0.62
β C-C Si-Si Si-C C-C Si-Si Si-C
hs,s,σ −5.95 −2.08 −3.70 −4.19 −2.33 −3.11
hs,p,σ 6.40 2.24 3.98 4.23 1.87 2.66
hp,p,σ 10.01 3.50 6.22 4.64 1.86 2.77
hp,p,Π −2.84 −0.99 −1.77 −2.66 −0.65 −1.74
β C-C Si-Si Si-C C-C Si-Si Si-C
dβ 1.3 2.2 1.649 1.3 2.2 1.649

The values of the tight-binding parameters, <a onClick="popup('http://www.nanoscalereslett.com/content/7/1/616/mathml/M44','MathML',630,470);return false;" target="_blank" href="http://www.nanoscalereslett.com/content/7/1/616/mathml/M44">View MathML</a> and <a onClick="popup('http://www.nanoscalereslett.com/content/7/1/616/mathml/M45','MathML',630,470);return false;" target="_blank" href="http://www.nanoscalereslett.com/content/7/1/616/mathml/M45">View MathML</a> (in eV), and Harrison’s dimensionless coefficients, <a onClick="popup('http://www.nanoscalereslett.com/content/7/1/616/mathml/M46','MathML',630,470);return false;" target="_blank" href="http://www.nanoscalereslett.com/content/7/1/616/mathml/M46">View MathML</a>, as proposed in this work and compared with the original values by Harrison [67]. Please note that the distance-dependent <a onClick="popup('http://www.nanoscalereslett.com/content/7/1/616/mathml/M47','MathML',630,470);return false;" target="_blank" href="http://www.nanoscalereslett.com/content/7/1/616/mathml/M47">View MathML</a> parameters are computed for the appropriate interatomic spacings dβ(in Å), tabulated below, and assumed after the works of Tongay et al. [29] and Bekaroglu et al. [69]. In order to keep table transparent indices, nand n for <a onClick="popup('http://www.nanoscalereslett.com/content/7/1/616/mathml/M48','MathML',630,470);return false;" target="_blank" href="http://www.nanoscalereslett.com/content/7/1/616/mathml/M48">View MathML</a> and <a onClick="popup('http://www.nanoscalereslett.com/content/7/1/616/mathml/M49','MathML',630,470);return false;" target="_blank" href="http://www.nanoscalereslett.com/content/7/1/616/mathml/M49">View MathML</a> are omitted.

Szczȩśniak et al.

Szczȩśniak et al. Nanoscale Research Letters 2012 7:616   doi:10.1186/1556-276X-7-616

Open Data