I am planning to simulate the diffusion of As atoms (as dopants) within a growing Ge layer. The system can be pictured as a flux of As and Ge atoms being deposited on a Silicon substrate. The Si-Ge potential is available in LAMMPS, however, the As-Ge and As-Si are not.
Are there any sources to find these (tersoff) potentials? Is it even viable to make my own potentials?
Thank you for taking the time to read and possibly answer my question!
You can search inter atomic potential in few places,
1. There is an excellent interatomic potential repository maintained by National Institute of Standards and Technology (NIST). Link is below,
https://www.ctcms.nist.gov/potentials/testing/
2. If you do not find any potentials there, you can also look in the open source publication repositories such as following,
https://ecommons.cornell.edu/
3. Finally, if you do not find anything there, you can make your own potentials. Please follow the following references.
https://ecommons.cornell.edu/bitstream/handle/1813/38782/cl973.pdf?sequence=1
https://core.ac.uk/download/pdf/78561825.pdf
Folowing are for the MEAM potential,
https://icme.hpc.msstate.edu/mediawiki/index.php/MPC.html
https://www.sciencedirect.com/science/article/abs/pii/S0010465515001964?via%3Dihub
- Badges
- Science topic
- Similar topics
- Methodology
- Research Methodology
- Research Papers