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

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

2004-04-09

arxiv.org/abs/cond-mat/0404230v1

Phys. Rev. B 69, 092107 (2004)

Physics

Condensed Matter

Statistical Mechanics

4 pages, 2 figures

Scientific paper

10.1103/PhysRevB.69.092107

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 $0.22 < x < 0.36$.

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