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- W2006052089 abstract "We present a joint experimental and theoretical study of the electronic structure and surface resonances of the Ta(001) surface. Angle-resolved photoemission experiments were performed with use of synchrotron radiation in the photon-energy range 10 to 100 eV. Three surface resonances have been identified in the angle-resolved photoemission spectra. Their symmetry, dispersion, and orbital character are determined. The experimental data are compared to self-consistent local-density-functional calculations for 9- and 21-layer Ta(001) slabs that are either bulk terminated or have a 14% contraction of the surface interlayer spacing. Since the degenerate d states of bulk Ta (e.g., the ${mathrm{ensuremath{Gamma}}}_{25ensuremath{'}}$ and ${mathrm{ensuremath{Gamma}}}_{12}$ irreducible representations) are above the Fermi level, the spin-orbit interaction---which can lift orbital degeneracies---has little effect on the occupied bands and is not required in order to explain the behavior of the resonances. The calculations for the 14% contracted surface interlayer separation is in better agreement with the experimental result than are the bulk-terminated bands. The role of these surface resonances on the stability of the (001) face of Ta will be discussed." @default.
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- W2006052089 date "1990-09-15" @default.
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- W2006052089 title "Surface resonances on Ta(001)" @default.
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- W2006052089 doi "https://doi.org/10.1103/physrevb.42.5025" @default.
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