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physics.comp-ph2010★ 7 cited
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…
cond-mat.mtrl-sci2010
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…