97 citations · 349 across the 16 of their papers we have counts for
Showing 2022 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2022★ 1 cited
Temperature-dependent Multi-well Free-energy Landscape for Phase Transitions: PbTiO3 as a Prototype
Yi Wang, Tiannan Yang, Shun-Li Shang +2
It has been a long challenge to analytically construct the quantitative temperature-dependent multi-well free-energy landscape over the space of order parameters describing phase t…
cond-mat.mtrl-sci2022★ 9 cited
Thermodynamic and electron-transport properties of Ca3Ru2O7 from first-principles phonon calculations and Boltzmann transport theory
Yi Wang, Yihuang Xiong, Tiannan Yang +6
This work demonstrates a first-principles-based approach to obtaining finite temperature thermal and electronic transport properties which can be employed to model and understand m…
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…