Figure 1

Pentacene at Cu(119): angle-resolved UV photoemission results. The solid lines pertain to the spectra of the adsorbate system and the gray areas to those of the clean Cu(119) surface. The data were taken with a photon energy of 21 eV at the (a) $\overline{\Gamma }$, (b) $\overline{X}$, and (c) $\overline{M}$ points of the SBZ of $\mathrm{Cu}(100)\mathrm{\text{−}}(1\times 1)$. (d) shows the ARPES spectrum at $\overline{\Gamma }$ collected using linerarly polarized light (photon energy of 18 eV), with the polarization vector parallel to [110] (see Fig. 2).Reuse & Permissions

Figure 2

(a) Scheme of the surface geometry for pentacene on Cu(100). Solid (open) circles represent atoms of the first (second) Cu(100) layer. The edge of the $\mathrm{Cu}(100)\mathrm{\text{−}}(1\times 1)$ cell is $a=2.57\AA$. The periodicity of the hexagons in the molecule ($\sim a$) is 2.45 Å on the average. (b) Charge density plot for one selected electron state ($E=-0.63\mathrm{eV}$) of the adsorbed system. The molecular component is reported as a three-dimensional isosurface, while the substrate component is cut on a plane through the topmost Cu layer. (c) The LUMO of the isolated gas-phase pentacene molecule, reported as a reference.Reuse & Permissions

Figure 3

Computed total and molecule-projected DOS for pentacene on Cu(100). (a) Total DOS (gray area) and pentacene-projected DOS’s (solid line). (b) Particular of the upper panel over a shrunken energy range, with are added: HOMO pDOS, thick solid line; LUMO pDOS, dashed area; $\mathrm{LUMO}+1$ pDOS, dashed line. The Fermi energy is set to zero.Reuse & Permissions