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cond-mat.mtrl-sci2006★ 215 cited
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…
cond-mat.mtrl-sci2006
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…