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- Institució Catalana de Recerca i Estudis AvançatsES100 papers
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4 papers · 1 filter
First principles study of the origin and nature of ferromagnetism in (Ga,Mn)As
Stefano Sanvito, Pablo Ordejon, Nicola A. Hill
The properties of diluted GaMnAs are calculated for a wide range of Mn concentrations within the local spin density approximation of density functional theory. Mülliken…
Cationic ordering control of magnetization in Sr2FeMoO6 double perovskite
Ll. Balcells, J. Navarro, M. Bibes +3
The role of the synthesis conditions on the cationic Fe/Mo ordering in Sr2FeMoO6 double perovskite is addressed. It is shown that this ordering can be controlled and varied systema…
New Superhard Phases for 3D C60-based Fullerites
E. Burgos, E. Halac, Ruben Weht +3
We have explored new possible phases of 3D C60-based fullerites using semiempirical potentials and ab-initio density functional methods. We have found three closely related structu…
Tight Binding Molecular Dynamics Studies of Boron Assisted Nanotube Growth
E. Hernandez, P. Ordejon, I. Boustani +2
In this paper we report a theoretical study of the effects of the presence of boron in growing carbon nanotubes. We employ a well established Tight Binding model to describe the in…