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Efficient simulation of second-order phase transitions in quantum anharmonic materials

Baldanza, Andrea et al.
arXiv (All) · Papers
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computational-physicsmaterials-science
When a crystal undergoes a second-order structural phase transition, such as in ferroelectrics, Peierls, and charge-density waves, the diverging fluctuations of the order parameter lead to the break- down of the standard phonon quasiparticle picture. Simulating these highly anharmonic regimes is not
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