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Beltrán Finez, Juan Ignacio ; Gallego, S. ; Cerdá, J. ; Moya, J. S. ; Muñoz, M. C. | American Physical Society | 2003-08-15We report on the formation of strong chemical bonds at the Ni(100)/cubic-ZrO_(2)(100) polar interfaces. Ab initio density functional theory calculations demonstrate that both Zr/Ni and O/Ni junctions are energetically stable, and predict that tw[...]texto impreso
Gallego, S. ; Beltrán Finez, Juan Ignacio ; Cerdá, J. ; Muñoz, M.C. | IOP publishing ltd | 2005-11-02The occurence of spin-polarization at ZrO_(2), Al_(2)O_(3) and MgO surfaces is proved by means of abinitio calculations within the density functional theory. Large spin moments, as high as 1.56 µB, develop at O-ended polar terminations, transfor[...]texto impreso
Muñoz, M. C. ; Chico, L. ; López-Sancho, M. P. ; Beltrán Finez, Juan Ignacio ; Gallego, S. ; Cerdá, J. | IOP publishing ltd | 2006The symmetry underlying the geometric structure of materials determines most of their physical properties. In low dimensional systems the role of symmetry is enhanced and can give rise to new phenomena. Here, we report on unexpected magnetism in[...]
