1 citations · 1 across the 2 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2007★ 1 cited
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…
cond-mat.mtrl-sci2007
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…
cond-mat.mtrl-sci2001
ab inito local vibrational modes of light impurities in silicon
J. M. Pruneda, S. K. Estreicher, J. Junquera +2
We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbita…