Integral Equation Theory for Pair Correlation Functions in a Crystal
arXiv:1405.0561 · doi:10.1063/1.4881420
Abstract
A method for calculating pair correlation functions in a crystal is developed. The method is based on separating the one- and two- particle correlation functions into the symmetry conserving and the symmetry broken parts. The conserving parts are calculated using the integral equation theory of homogeneous fluids. The symmetry broken part of the direct pair correlation function is calculated from a series written in powers of order parameters and that of the total pair correlation function from the Ornstein- Zernike equation. The results found for a two-dimensional hexagonal lattice show that the method provides accurate and detailed informations about the pair correlation functions in a crystal.
5 pages, 3 figures and 5 pages supplemental online material
References in corpus (11)
- Elastic Behavior of a Two-dimensional Crystal near Melting
- Perturbation Theory for Classical Solids
- Pair correlation functions in nematics, free-energy functional and isotropic-nematic transition
- Crystallization of magnetic dipolar monolayers: a density functional approach
- Pair Correlation Functions and a Free-Energy Functional for the Nematic Phase
- Crystallization of Simple Fluids: Relative Stability of f.c.c. and b.c.c Structures
- Free-energy functional for freezing transitions: Hard sphere systems freezing into crystalline and amorphous structures
- Correlation functions in liquids and crystals : Free energy functional and liquid - crystal transition
- Integral Equation Theory for Pair Correlation Functions in a Crystal
- Freezing of a two dimensional fluid in to a crystalline phase : Density functional approach
- Crystal phases of soft spheres systems in a slab geometry