215 citations · 215 across the 2 of their papers we have counts for
5 papers · 1 filter
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…
A combined theoretical and experimental study of the low temperature properties of BaZrO3
A. R. Akbarzadeh, I. Kornev, C. Malibert +2
Low temperature properties of BaZrO3 are revealed by combining experimental techniques (X-ray diffraction, neutron scattering and dielectric measurements) with theoretical first-pr…
Properties of Pb(Zr,Ti)O ultrathin films under stress-free and open-circuit electrical boundary conditions
Emad Almahmoud, Yulia Navtsenya, Igor Kornev +2
A first-principles-based scheme is developed to simulate properties of (001) PbO-terminated Pb(ZrTi)O thin films that are under stress-free and open-circuit bound…
Ultrathin films of ferroelectric solid solutions under residual depolarizing field
Igor Kornev, Huaxiang Fu, L. Bellaiche
A first-principles-derived approach is developed to study the effects of uncompensated depolarizing electric fields on the properties of Pb(Zr,Ti)O ultrathin films for differen…