Table 1 Strain dependent tight-binding parameters

From: A machine learning approach to predict tight-binding parameters for point defects via the projected density of states

 

ϵN

ϵB

\({{\rm{t}}}_{{1}^{st}}^{\,\text{NB}\,}\)

\({{\rm{t}}}_{{2}^{nd}}^{\,\text{NN}\,}\)

\({{\rm{t}}}_{{2}^{nd}}^{\,\text{BB}\,}\)

\({{\rm{t}}}_{{3}^{rd}}^{\,\text{NB}\,}\)

 

0.0

2.37

−3.12

0.002

−0.77

−0.35

α

  

−2.66

0.18

0.05

−0.19

β

  

5.86

−0.08

0.97

0.55

  1. The table contains the pristine tight-binding parameter, including the two onsite energies and four hopping parameters. The second nearest neighbor hopping is regarded separately for nitrogen and boron. The parameters α and β refer to the quadratic fit for the distance dependent hopping parameters.
Back to article page