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Density functionals and half-metalicity in La2/3Sr1/3MnO3
V. Ferrari, J. M. Pruneda, Emilio Artacho
The electronic structure and equilibrium geometry of La2/3Sr1/3MnO3 are studied theoretically by means of density functional calculations. The doping is treated by introducing hole…
Transformation of spin information into large electrical signals via carbon nanotubes
Luis E. Hueso, Jose M. Pruneda, Valeria Ferrari +7
Spin electronics (spintronics) exploits the magnetic nature of the electron, and is commercially exploited in the spin valves of disc-drive read heads. There is currently widesprea…
On electrons and hydrogen-bond connectivity in liquid water
M. V. Fernandez-Serra, Emilio Artacho
The network connectivity in liquid water is revised in terms of electronic signatures of hydrogen bonds (HBs) instead of geometric criteria, in view of recent X-ray absorption stud…
First-principles study of structural, elastic, and bonding properties of pyrochlores
J. M. Pruneda, Emilio Artacho
Density Functional Theory calculations have been performed to obtain lattice parameters, elastic constants, and electronic properties of ideal pyrochlores with the composition A$_2…