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, and (in eV), and Harrison’s dimensionless coefficients, , as proposed in this work and compared with the original values by Harrison [67]. Please note that the distance-dependent parameters are computed for the appropriate interatomic spacings d_β(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 and are omitted.

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