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19922026
most citedThe SIESTA method for ab initio order-N materials simulation

12k citations

Showing 2012 · cond-mat.mtrl-sciShow all

9 papers · 2 filters

cond-mat.mtrl-sci2012

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…

cond-mat.mtrl-sci2012★ 73 cited

Linear Magnetoelectric Effect by Orbital Magnetism

Andrea Scaramucci, Eric Bousquet, Michael Fechner +2

We use symmetry analysis and first principles calculations to show that the linear magnetoelectric effect can originate from the response of orbital magnetic moments to the polar d…

cond-mat.mtrl-sci2012★ 56 cited

Electrical properties of improper ferroelectrics from first principles

Massimiliano Stengel, Craig J. Fennie, Philippe Ghosez

We study the interplay of structural and polar distortions in hexagonal YMnO3 and short-period PbTiO3/SrTiO3 superlattices by means of first-principles calculations at constrained…

cond-mat.mtrl-sci2012★ 64 cited

Ultrafast dynamical path for the switching of a ferrimagnet after femtosecond heating

U. Atxitia, T. Ostler, J. Barker +3

Ultrafast laser-induced magnetic switching in rare earth, transition metal ferrimagnetic alloys has recently been reported to occur by ultrafast heating alone. Using atomistic simu…

cond-mat.mtrl-sci2012★ 114 cited

Non collinear magnetism and single ion anisotropy in multiferroic perovskites

Carlo Weingart, Nicola Spaldin, Eric Bousquet

The link between the crystal distortions of the perovskite structure and the magnetic exchange interaction, the single-ion anisotropy (SIA) and the Dzyaloshinsky-Moriya (DM) intera…

cond-mat.mtrl-sci2012★ 66 cited

Incipient ferroelectricity in 2.3% tensile-strained CaMnO3 films

T. Günter, E. Bousquet, A. David +4

Epitaxial CaMnO3 films grown with 2.3% tensile strain on (001)-oriented LaAlO3 substrates are found to be incipiently ferroelectric below 25 K. Optical second harmonic generation (…