Search

It is found that 1/3 monolayer (ML) of Sn forms a surface alloy with 2/3 ML of Ag on Ag(111). This highly ordered alloy layer shows a √3 × √3 structure. By employing experimental and theoretical tools (scanning tunneling microscopy [STM], angle resolved photoelectron spectroscopy, low-energy electron diffraction, and density functional theory), an atomic model has been obtained that reproduces the experimental electronic structure in both real and reciprocal space. Detailed surface band dispersions, constant energy contours, and STM images, obtained experimentally and theoretically, are compared in order to verify the model. Similar, 1-layer-thick alloys on Ag(111) with Pb, Bi, or Sb exhibit measurable spin-orbit interactions. However, no such spin split could be detected in the case of Sn in this study. [ABSTRACT FROM AUTHOR]

We report a study of the atomic and electronic structures of the ordered Ag2Ge surface alloy containing 1/3 monolayer of Ge. Low-energy electron diffraction (LEED), scanning tunneling microscopy (STM), and angle-resolved photoelectron spectroscopy (ARPES) data reveal a symmetry breaking of the expected √3 × √3 periodicity, which is established for other Ag2M alloys (M = Bi, Sb, Pb, and Sn). The deviation from a simple √3 × √3 structure manifests itself as a splitting of diffraction spots in LEED, as a striped structure with a 6× periodicity including a distortion of the local hexagonal structure in STM, and as a complex surface band structure in ARPES that is quite different from those of the other Ag2M alloys. These results are interesting in view of the differences in the atomic and electronic structures exhibited by different group IV elements interacting with Ag(111). Pb and Sn form √3 × √3 surface alloys on Ag(111), of which Ag2Pb shows a surface band structure with a clear spin-orbit split. Si and C form silicene and graphene structures, respectively, with linear band dispersions and the formation of Dirac cones as reported for graphene. The finding that Ag2Ge deviates from the ideal (√3 × √3) Ag2Sn and Ag2Pb surface alloys makes Ge an interesting "link" between the heavy group IV elements (Sn, Pb) and the light group IV elements (Si, C). [ABSTRACT FROM AUTHOR]

The adsorption of Ni, Co, Mn, Ti, and Zr at the (√2 × √2)R45°-reconstructed Fe3O4(001) surface was studied by scanning tunneling microscopy, x-ray and ultraviolet photoelectron spectroscopy, low-energy electron diffraction (LEED), and density functional theory (DFT). Following deposition at room temperature, metals are either adsorbed as isolated adatoms or fill the subsurface cation vacancy sites responsible for the (√2 × √2)R45° reconstruction. Both configurations coexist, but the ratio of adatoms to incorporated atoms depends on the metal; Ni prefers the adatom configuration, Co and Mn form adatoms and incorporated atoms in similar numbers, and Ti and Zr are almost fully incorporated. With mild annealing, all adatoms transition to the incorporated cation configuration. At high coverage, the (√2 × √2)R45° reconstruction is lifted because all subsurface cation vacancies become occupied with metal atoms, and a (1 × 1) LEED pattern is observed. DFT+U calculations for the extreme cases, Ni and Ti, confirm the energetic preference for incorporation, with calculated oxidation states in good agreement with photoemission experiments. Because the site preference is analogous to bulk ferrite (XFe2O4) compounds, similar behavior is likely to be typical for elements forming a solid solution with Fe3O4. [ABSTRACT FROM AUTHOR]

The adsorption of Ni, Co, Mn, Ti, and Zr at the (√2×√2)R45°-reconstructed Fe3O4(001) surface was studied by scanning tunneling microscopy, x-ray and ultraviolet photoelectron spectroscopy, low-energy electron diffraction (LEED), and density functional theory (DFT). Following deposition at room temperature, metals are either adsorbed as isolated adatoms or fill the subsurface cation vacancy sites responsible for the (√2×√2)R45° reconstruction. Both configurations coexist, but the ratio of adatoms to incorporated atoms depends on the metal; Ni prefers the adatom configuration, Co and Mn form adatoms and incorporated atoms in similar numbers, and Ti and Zr are almost fully incorporated. With mild annealing, all adatoms transition to the incorporated cation configuration. At high coverage, the (√2×√2)R45° reconstruction is lifted because all subsurface cation vacancies become occupied with metal atoms, and a (1×1) LEED pattern is observed. DFT+U calculations for the extreme cases, Ni and Ti, confirm the energetic preference for incorporation, with calculated oxidation states in good agreement with photoemission experiments. Because the site preference is analogous to bulk ferrite (XFe2O4) compounds, similar behavior is likely to be typical for elements forming a solid solution with Fe3O4. [ABSTRACT FROM AUTHOR]