131 citations · 408 across the 18 of their papers we have counts for
4 papers · 1 filter
Lattice screening of the polar catastrophe and hidden in-plane polarization in KNbO/BaTiO interfaces
Pablo García-Fernández, Pablo Aguado-Puente, Javier Junquera
We have carried out first-principles simulations, based on density functional theory, to obtain the atomic and electronic structure of (001) BaTiO/KNbO interfaces in an…
Domain walls in a perovskite oxide with two primary structural order parameters: first-principles study of BiFeO
Oswaldo Diéguez, Pablo Aguado-Puente, Javier Junquera +1
We present a first-principles study of ferroelectric domain walls (FE-DWs) in multiferroic BiFeO (BFO), a material in which the FE order parameter coexists with anti-ferrodisto…
Ferroelectricity in ultrathin film capacitors
Céline Lichtensteiger, Pavlo Zubko, Massimiliano Stengel +4
Going down to the limit of ultrathin films holds promise for a new generation of devices such as ferroelectric tunnel junctions or resistive memories. However, these length scales…
First-principles simulations on the structural and energetic properties of domains in PbTiO/SrTiO superlattices
Pablo Aguado-Puente, Javier Junquera
We report first-principles calculations, within the density functional theory, on the structural and energetic properties of 180 stripe domains in (PbTiO)/(SrTi…