José Ortega

TL;DR: Using inversephotoemission and photoemission it is found that the bulk bands become discretized in highly perfect layer structures, such as Cu on fcc Co(100) and Ag on bcc Fe(100).

TL;DR: In this article, a theoretical electronic structure based approach suitable for the study of complex silicas, and apply it to three different silica polymorphs, was developed. But the method is first principles but simplified to cope with large systems.

TL;DR: This work reports the formation of C60 and the triazafullerene C57N3 from aromatic precursors using a highly efficient surface-catalysed cyclodehydrogenation process, and finds that after deposition onto a platinum (111) surface and heating to 750 K, the precursor molecules are transformed into the corresponding fullerene and triazaFULlerene molecules with about 100 per cent yield.

TL;DR: Quantum well states are found at the Fermi level in Cu on Co(100) and Ag on Fe( 100) and connect with minority-spin interface states observed below EF previously, providing a magnetic coupling channel through the noble metal.

TL;DR: In this paper, Sankey and Niklewskii improved the Sankey-Niklewaki method by using the separable pseudopotential (Hamann or Troullier) and allowing double numerical basis sets with the addition of polarization orbitals and d orbitals.