103 citations · 104 across the 3 of their papers we have counts for
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First-principles study of ferroelectric oxide epitaxial thin films and superlattices: role of the mechanical and electrical boundary conditions
Javier Junquera, Philippe Ghosez
In this review, we propose a summary of the most recent advances in the first-principles study of ferroelectric oxide epitaxial thin films and multilayers. We discuss in detail the…
Ferromagnetic-like closure domains in ferroelectric ultrathin films
Pablo Aguado-Puente, Javier Junquera
We simulate from first-principles the energetic, structural, and electronic properties of ferroelectric domains in ultrathin capacitors made of a few unit cells of BaTiO betwee…
Nanoscale Smoothing and the Analysis of Interfacial Charge and Dipolar Densities
Javier Junquera, Morrel H. Cohen, Karin M. Rabe
The interface properties of interest in multilayers include interfacial charge densities, dipole densities, band offsets, and screening-lengths, among others. Most such properties…
First-Principles Modeling of Ferroelectric Oxide Nanostructures
Philippe Ghosez, Javier Junquera
The aim of this Chapter is to provide an account of recent advances in the first-principles modeling of ferroelectric oxide nanostructures. Starting from a microscopic description…
Finite-size effects in BaTiO3 nanowires
Gregory Geneste, Eric Bousquet, Javier Junquera +1
The size dependence of the ferroelectric properties of BaTiO nanowires is studied from first-principles. We show that the ferroelectric distortion along the wire axis disappear…
Ferroelectricity and tetragonality in ultrathin PbTiO3 films
Celine Lichtensteiger, Jean-Marc Triscone, Javier Junquera +1
The evolution of tetragonality with thickness has been probed in epitaxial c-axis oriented PbTiO3 films with thicknesses ranging from 500 down to 24 Angstroms. High resolution x-ra…