250 citations · 1.1k across the 12 of their papers we have counts for
4 papers · 1 filter
What controls the temperature of a soft mode-driven structural phase transition?
Jacek C. Wojdeł, Jorge Íñiguez
We have used an effective model of ferroelectric PbTiO, which displays a representative soft mode-driven phase transition, to investigate how different features of the potent…
Ferroelectricity at ferroelectric domain walls
Jacek C. Wojdel, Jorge Iniguez
We present a first-principles study of model domain walls (DWs) in prototypic ferroelectric PbTiO3. At high temperature the DW structure is somewhat trivial, with atoms occupying h…
Electric control of the magnetization in BiFeO/LaFeO superlattices
Zeila Zanolli, Jacek C. Wojdel, Jorge Iniguez +1
First-principles techniques are used to investigate the behavior of BiFeO/LaFeO perovskite oxide superlattices epitaxially grown on a (001)-SrTiO substrate. The cal…
First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxides
Jacek C. Wojdeł, Patrick Hermet, Mathias P. Ljungberg +2
We present a scheme to construct model potentials, with parameters computed from first principles, for large-scale lattice-dynamical simulations of materials. Our method mimics the…