The application of the M"obius inversion formula to the embedded-atom method
Materials Science
2008-02-03 v2
Abstract
We present a systematical method for obtaining analytical long-range embedded-atom potentials based on the lattice-inversion method. The potentials converge faster (exponentially) than Sutton and Chen's power-law potentials (Philos. Mag. Lett. 61, 2480(1990)). An interesting relationship between the embedded-atom method and the universal binding energy equation of Rose et al. (Phys. Rev. B 29, 2963 (1984)) is also pointed out. The potentials are tested by calculating the elastic constants, phonon dispersions, phase stabilities, surface properties and melting temperatures of the fcc transition metals.
Cite
@article{arxiv.cond-mat/9610183,
title = {The application of the M"obius inversion formula to the embedded-atom method},
author = {Qian Xie and Wen-Qing Zhang and Nan-xian Chen},
journal= {arXiv preprint arXiv:cond-mat/9610183},
year = {2008}
}
Comments
10 pages, 10 Postscript figures, RevTex, resubmitted