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cond-mat.mtrl-sci2008★ 11 cited
The structure of electronic polarization and its strain dependence
Yanpeng Yao, Huaxiang Fu
The $ϕ(\kpp)\sim \kpp$ relation is called polarization structure. By density functional calculations, we study the polarization structure in ferroelectric perovskite PbTiO, rev…
cond-mat.mtrl-sci2008
Polarization Saturation in Strained Ferroelectrics
Yanpeng Yao, Huaxiang Fu
Using density-functional calculations we study the structure and polarization response of tetragonal PbTiO3, BaTiO3 and SrTiO3 in a strain regime that is previously overlooked. Dif…