TY - JOUR

T1 - Inverse-photoemission spectra and electronic structure of the Cu(110) surface

AU - Redinger, J.

AU - Weinberger, P.

AU - Erschbaumer, H.

AU - Podloucky, R.

AU - Fu, C. L.

AU - Freeman, Arthur J

PY - 1991

Y1 - 1991

N2 - We report results of a self-consistent full-potential linearized augmented-plane-wave calculation within the local-density approximation for an 11-layer slab corresponding to a Cu(110) surface. The relaxed geometry, i.e., the change of the top two interlayer spacings 12=-6.2% and 23=+2.1% was obtained by total-energy minimization. For the work function, a value of 4.84 eV was derived. Based on the self-consistent potentials of the electronic-structure calculation for the relaxed geometry, angle-resolved inverse-photoemission spectra were calculated within a one-step model. Spectra were obtained for the -X and -Y symmetry lines. Two surface-related states at X and Y were found at 4.6 and 1.5 eV above the Fermi energy.

AB - We report results of a self-consistent full-potential linearized augmented-plane-wave calculation within the local-density approximation for an 11-layer slab corresponding to a Cu(110) surface. The relaxed geometry, i.e., the change of the top two interlayer spacings 12=-6.2% and 23=+2.1% was obtained by total-energy minimization. For the work function, a value of 4.84 eV was derived. Based on the self-consistent potentials of the electronic-structure calculation for the relaxed geometry, angle-resolved inverse-photoemission spectra were calculated within a one-step model. Spectra were obtained for the -X and -Y symmetry lines. Two surface-related states at X and Y were found at 4.6 and 1.5 eV above the Fermi energy.

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U2 - 10.1103/PhysRevB.44.8288

DO - 10.1103/PhysRevB.44.8288

M3 - Article

AN - SCOPUS:0001271318

VL - 44

SP - 8288

EP - 8293

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 15

ER -