10.21401/4E6F83DE
Min Shi
Stillinger-Weber potential with combined modifications of Balamane et al. (1992) and Hauch et al. (1999) exhibiting brittle behavior
OpenKIM
2018
Software
OpenKIM
Parameterized Model
MO_381114941873_002
OpenKIM
2018
MO_381114941873_002
SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_002
https://openkim.org/cite/MO_381114941873_002
This is a Stillinger-Weber (SW) paramaterization for Si with the combined modifications of Balamane et al. (1992) and Hauch et al. (1999). Balamane et al. rescaled the epsilon value from 2.1682 eV to 2.315 eV to obtain the the experimental cohesive energy, E_coh = 4. 63 eV. Hauch et al (1999) doubled the original lambda value from 21.0 to 42.0 to obtain brittle behavior.