Mott-Littleton Method (Defects in Ionic Solids)
Shell models were preferred because they allowed good descriptions of the dielectric properties and lattice dynamics but also because they are unambiguous when there is a change in local lattice coordination
[1] A.B. Lidiard, "The Mott-Littleton Method" J. Chem. Soc., Faraday Trans. 2, 1989, 85 (5), 341-349 http://pubs.rsc.org/en/content/articlepdf/1989/f2/f29898500341
[2] Catlow and Mackrodt
[3] Mott-Littleton
Huntington-Seitz Method (Defects in metals)
Stacking Faults in FCC
- Zimmerman, Jonathan A., Huajian Gao, and Farid F. Abraham. "Generalized stacking fault energies for embedded atom FCC metals." Modelling and Simulation in Materials Science and Engineering 8.2 (2000): 103. Link
- Chandran, Mahesh, and S. K. Sondhi. "First-principle calculation of stacking fault energies in Ni and Ni-Co alloy." Journal of Applied Physics 109.10 (2011): 103525. Link
- Yamakov, Vesselin, et al. "Dislocation processes in the deformation of nanocrystalline aluminium by molecular-dynamics simulation." Nature materials 1.1 (2002): 45.Link