Full anharmonic free-energy integration lowers the predicted α→β transition temperature of tin from 377 K (quasi-harmonic) to 288 K, matching experiment, because β-Sn carries a large explicit anharmonic free-energy contribution.
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Accurate Prediction of the $\alpha \to \beta$ Phase Transformation Temperature in Tin via Full Anharmonic Treatment
Full anharmonic free-energy integration lowers the predicted α→β transition temperature of tin from 377 K (quasi-harmonic) to 288 K, matching experiment, because β-Sn carries a large explicit anharmonic free-energy contribution.