Aufsatz in einer Fachzeitschrift
Wave-vector-dependent symmetry analysis of a photoemission matrix element: The quasi-one-dimensional model system Cu(110)(2X1)O
Details zur Publikation
Autor(inn)en: | Pforte, F.; Matzdorf, R. |
Publikationsjahr: | 2001 |
Zeitschrift: | Physical Review B |
Seitenbereich: | 0 |
Abkürzung der Fachzeitschrift: | Phys. Rev. |
Jahrgang/Band : | 63 |
ISSN: | 1098-0121 |
Zusammenfassung, Abstract
We derive orbital symmetry character from the study of peak intensities in angle-resolved photoemission spectra taken at different incidence angles of p-polarized light. Our method of analysis is tested at the oxygen-derived antibonding band on the Cu(110)(2 x 1)O surface. This band has all initial state energy E-i = -1.37 eV (T = 300 K) at the (Y) over bar point and shows even symmetry with respect to the Gamma LUX mirror plane (along <(Y)over bar>). The intensity analysis reveals that orbitals both of z-like (along surface normal) and y-like symmetry (y along the Cu-O chains) are mixed into this band. This interpretation is supported by several calculations. The ground-state symmetry character was studied by a full-potential linearized augmented planewave method using a seven-layer supercell geometry. For a direct comparison with the experimental intensities, photoemission spectra at the (Y) over bar point were calculated using the one-step model of photoemission, Our results contribute to a long-standing discussion about the orbital character of the even antibonding band. In particular we demonstrate that this kind of intensity analysis can supply valuable information about symmetry properties.
We derive orbital symmetry character from the study of peak intensities in angle-resolved photoemission spectra taken at different incidence angles of p-polarized light. Our method of analysis is tested at the oxygen-derived antibonding band on the Cu(110)(2 x 1)O surface. This band has all initial state energy E-i = -1.37 eV (T = 300 K) at the (Y) over bar point and shows even symmetry with respect to the Gamma LUX mirror plane (along <(Y)over bar>). The intensity analysis reveals that orbitals both of z-like (along surface normal) and y-like symmetry (y along the Cu-O chains) are mixed into this band. This interpretation is supported by several calculations. The ground-state symmetry character was studied by a full-potential linearized augmented planewave method using a seven-layer supercell geometry. For a direct comparison with the experimental intensities, photoemission spectra at the (Y) over bar point were calculated using the one-step model of photoemission, Our results contribute to a long-standing discussion about the orbital character of the even antibonding band. In particular we demonstrate that this kind of intensity analysis can supply valuable information about symmetry properties.
