Percolation model for structural phase transitions in Li1-xHxIO3 mixed crystals
Abstract
A percolation model is proposed to explain the structural phase transitions found in Li1-xHxIO3 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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