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

1996/10/25 by Qian Xie, Xie, Qian, Wen-Qing Zhang +3
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.cond-mat/9610183

10 pages, 10 Postscript figures, RevTex, resubmitted

arxiv created 1997/05/30 · arxiv updated 2009/11/30

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.

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