Phase transitions in disordered solids via hybrid Monte Carlo: the orthorhombic to cubic phase transition in (Mg,Mn)SiO₃ perovskite

Abstract

We show how a novel hybrid Monte Carlo simulation technique can be used to investigate the influence of high impurity or defect concentrations on phase transitions; impurity cations can have a much larger effect than that expected from a mean-field treatment or linear interpolation between end-member compounds.

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