most citedParameter-free prediction of phase transition in PbTiO3 through combination of quantum mechanics and statistical mechanics

16 citations · 16 across the 1 of their papers we have counts for

collaborators

1 paper

cond-mat.mtrl-sci2022★ 16 cited

Parameter-free prediction of phase transition in PbTiO3 through combination of quantum mechanics and statistical mechanics

Zi-Kui Liu, Shun-Li Shang, Jinglian Du +1

Thermodynamics of ferroelectric materials and their ferroelectric to paraelectric (FE-PE) transitions including those in PbTiO3 is commonly described by the phenomenological Landau…