Path integral Monte Carlo simulations of silicates
classification
❄️ cond-mat.stat-mech
keywords
carlomontebetaintegralobtainedpathpimcthermal
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We investigate the thermal expansion of crystalline SiO$_2$ in the $\beta$-- cristobalite and the $\beta$-quartz structure with path integral Monte Carlo (PIMC) techniques. This simulation method allows to treat low-temperature quantum effects properly. At temperatures below the Debye temperature, thermal properties obtained with PIMC agree better with experimental results than those obtained with classical Monte Carlo methods.
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