215 citations · 215 across the 2 of their papers we have counts for
6 papers
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…
High pressure phases in highly piezoelectric Pb(Zr0.52Ti0.48)O3
A. Sani, B. Noheda, I. A. Kornev +3
Two novel room-temperature phase transitions are observed, via synchrotron x-ray diffraction and Raman spectroscopy, in the Pb(Zr0.52Ti0.48)O3 alloy under hydrostatic pressures up…