The application of the M"obius inversion formula to the embedded-atom method

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.

arXiv comment10 pages, 10 Postscript figures, RevTex, resubmitted