271 citations · 629 across the 11 of their papers we have counts for
11 papers
Influence of rotational instability on the polarization structure of SrTiO3
Yanpeng Yao, Huaxiang Fu
The k-space polarization structure and its strain response in SrTiO3 with rotational instability are studied using a combination of first-principles density functional calculations…
Strain dependencies of energetic, structural, and polarization properties in tetragonal (PbTiO3)1/(SrTiO3)1 and (BaTiO3)1/(SrTiO3)1 superlattices: a comparative study with bulks
Yanpeng Yao, Huaxiang Fu
First-principles density functional calculations are performed to investigate the interplay between inplane strains and interface effects in 1by1 PbTiO3/SrTiO3 and BaTiO3/SrTiO3 su…
Cooperative response of Pb(ZrTi)O nanoparticles to curled electric fields
Ivan I. Naumov, Huaxiang Fu
Using first-principles based effective Hamiltonian and finite temperature Monte Carlo simulations we investigate cooperative responses, as well as microscopic mechanism for vortex…
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…
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…
Vortex-to-Polarization Phase Transformation Path in Pb(ZrTi)O Nanoparticles
Ivan Naumov, Huaxiang Fu
Phase transformation in finite-size ferroelectrics is of fundamental relevance for understanding collective behaviors and balance of competing interactions in low-dimensional syste…