Second-order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: Theory and stochastic implementation

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Authors: Raffaello Bianco, Ion Errea, Lorenzo Paulatto, Matteo Calandra, Francesco Mauri

Journal title: Physical Review B

Journal number: 96/1

Journal publisher: APS

Published year: 2017

DOI identifier: 10.1103/PhysRevB.96.014111

ISSN: 2469-9950