271 citations · 1.1k across the 11 of their papers we have counts for
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Domain evolution of BaTiO3 ultrathin films under electric field: a first-principles study
Bo-Kuai Lai, Inna Ponomareva, Igor A. Kornev +2
A first-principles-derived method is used to study the morphology and electric-field-induced evolution of stripe nanodomains in (001) BaTiO3 (BTO) ultrathin films, and to compare t…
Phase diagram of Pb(Zr,Ti)O3 solid solutions from first principles
Igor A. Kornev, L. Bellaiche, P. -E. Janolin +2
A first-principles-derived scheme, that incorporates ferroelectric and antiferrodistortive degrees of freedom, is developed to study finite-temperature properties of PbZr1-xTixO3 s…
The nature of ferroelectricity under pressure
Igor A. Kornev, L. Bellaiche
Advances in first-principles computational approaches have, over the past fifteen years, made possible the investigation of physical properties of ferroelectric systems. In particu…