Percolation model for structural phase transitions in Li$_{1-x}$H$_x$IO$_3$ mixed crystals

P. H. L. Martins; J. A. Plascak; M. A. Pimenta

doi:10.1103/PhysRevB.69.092107

Percolation model for structural phase transitions in Li$_{1-x}$H$_x$IO$_3$ mixed crystals

Statistical Mechanics 2009-11-10 v1 Disordered Systems and Neural Networks

Authors: P. H. L. Martins , J. A. Plascak , M. A. Pimenta

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Abstract

A percolation model is proposed to explain the structural phase transitions found in Li $_{1-x}$ H $_x$ IO $_3$ mixed crystals as a function of the concentration parameter $x$ . The percolation thresholds are obtained from Monte Carlo simulations on the specific lattices occupied by lithium atoms and hydrogen bonds. The theoretical results strongly suggest that percolating lithium vacancies and hydrogen bonds are indeed responsible for the solid solution observed in the experimental range $0.22 < x < 0.36$ .

Keywords

percolation model structural phase transitions Li$_{1-x}$H$_x$IO$_3$ mixed crystals Monte Carlo simulations lithium vacancies hydrogen bonds

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@article{arxiv.cond-mat/0404230,
  title  = {Percolation model for structural phase transitions in Li$_{1-x}$H$_x$IO$_3$ mixed crystals},
  author = {P. H. L. Martins and J. A. Plascak and M. A. Pimenta},
  journal= {arXiv preprint arXiv:cond-mat/0404230},
  year   = {2009}
}

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4 pages, 2 figures

Percolation model for structural phase transitions in Li$_{1-x}$H$_x$IO$_3$ mixed crystals

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