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. 2023 Apr 25;13(9):1462. doi: 10.3390/nano13091462

Table 1.

The optimized Tersoff interatomic potential parameters for C, N, and B [29,30].

Parameters C N B
A (eV) 1393.6 128.86866 40.0520156
B (eV) 430 138.77866 43.132016
λ−1) 3.4879 2.8293093 2.2372578
μ−1) 2.2119 2.6272721 2.0774982
β 0.00000015724 0.019251 0.0000016
n 0.72751 0.6184432 3.9929061
c 38.049 17.7959 0.52629
d 4.3484 5.9484 0.001587
h −0.930 0.0000 0.5000
R−1) 1.95 2.0 2.0
D−1) 0.15 0.1 0.1