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From bcc to fcc: interplay between oscillating long-range and repulsive short-range forces

Mathematical Physics 2009-11-11 v3 Soft Condensed Matter math.MP

Abstract

This paper supplements and partly extends an earlier publication, Phys. Rev. Lett. 95, 265501 (2005). In dd-dimensional continuous space we describe the infinite volume ground state configurations (GSCs) of pair interactions \vfi\vfi and \vfi+ψ\vfi+\psi, where \vfi\vfi is the inverse Fourier transform of a nonnegative function vanishing outside the sphere of radius K0K_0, and ψ\psi is any nonnegative finite-range interaction of range r0γd/K0r_0\leq\gamma_d/K_0, where γ3=6π\gamma_3=\sqrt{6}\pi. In three dimensions the decay of \vfi\vfi can be as slow as r2\sim r^{-2}, and an interaction of asymptotic form cos(K0r+π/2)/r3\sim\cos(K_0r+\pi/2)/r^3 is among the examples. At a dimension-dependent density ρd\rho_d the ground state of \vfi\vfi is a unique Bravais lattice, and for higher densities it is continuously degenerate: any union of Bravais lattices whose reciprocal lattice vectors are not shorter than K0K_0 is a GSC. Adding ψ\psi decreases the ground state degeneracy which, nonetheless, remains continuous in the open interval (ρd,ρd)(\rho_d,\rho_d'), where ρd\rho_d' is the close-packing density of hard balls of diameter r0r_0. The ground state is unique at both ends of the interval. In three dimensions this unique GSC is the bcc lattice at ρ3\rho_3 and the fcc lattice at ρ3=2/r03\rho_3'=\sqrt{2}/r_0^3.

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@article{arxiv.math-ph/0608041,
  title  = {From bcc to fcc: interplay between oscillating long-range and repulsive short-range forces},
  author = {Andras Suto},
  journal= {arXiv preprint arXiv:math-ph/0608041},
  year   = {2009}
}

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