250 citations · 1.1k across the 12 of their papers we have counts for
12 papers
A phononic switch based on ferroelectric domain walls
Juan Antonio Seijas-Bellido, Carlos Escorihuela-Sayalero, Miquel Royo +4
The ease with which domain walls (DWs) in ferroelectric materials can be written and erased provides a versatile way to dynamically modulate heat fluxes. In this work we evaluate t…
Efficient systematic scheme to construct second-principles lattice-dynamical models
Carlos Escorihuela-Sayalero, Jacek C. Wojdeł, Jorge Íñiguez
We start from the polynomic interatomic potentials introduced by Wojdeł et al. [J. Phys. Condens. Matt. 25, 305401(2013)] and take advantage of one of their key features -- namely,…
Second-principles method including electron and lattice degrees of freedom
Pablo García-Fernández, Jacek C. Wojdeł, Jorge Íñiguez +1
We present a first-principles-based (second-principles) scheme that permits large-scale materials simulations including both atomic and electronic degrees of freedom on the same fo…
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…