M. Pa'sciak

activity

20172021

most citedFirst-principles based Landau-Devonshire potential for BiFeO

_{3}

25 citations · 30 across the 2 of their papers we have counts for

collaborators

3 papers

cond-mat.mtrl-sci2021★ 5 cited

A re-examination of antiferroelectric PbZrO $_{3}$ and PbHfO $_{3}$ : an 80-atom $P nam$ structure

J. S. Baker, M. Paściak, J. K. Shenton +8

First principles density functional theory (DFT) simulations of antiferroelectric (AFE) PbZrO $_{3}$ and PbHfO $_{3}$ reveal a dynamical instability in the phonon spectra of their purpor…

cond-mat.mtrl-sci2018

Local structure of relaxor ferroelectric Sr $_{x}$ Ba $_{1 - x}$ Nb $_{2}$ O $_{6}$ from pair distribution function analysis

M. Paściak, P. Ondrejkovic, P. Vanek +8

Neutron pair distribution function analysis and first principles calculations have been employed to study short-range correlations in heavily disordered dielectric material Sr $_{x}$ B…

cond-mat.mtrl-sci2017★ 25 cited

First-principles based Landau-Devonshire potential for BiFeO $_{3}$

Pavel Marton, Antonín Klíč, Marek Paściak +1

The work describes a first-principles-based computational strategy for studying structural phase transitions, and in particular, for determination of the so-called Landau-Devonshir…

A re-examination of antiferroelectric PbZrO3​ and PbHfO3​: an 80-atom Pnam structure

Local structure of relaxor ferroelectric Srx​Ba1−x​Nb2​O6​ from pair distribution function analysis

First-principles based Landau-Devonshire potential for BiFeO3​

A re-examination of antiferroelectric PbZrO $_{3}$ and PbHfO $_{3}$ : an 80-atom $P nam$ structure

Local structure of relaxor ferroelectric Sr $_{x}$ Ba $_{1 - x}$ Nb $_{2}$ O $_{6}$ from pair distribution function analysis

First-principles based Landau-Devonshire potential for BiFeO $_{3}$