Energy bands of (100) copper thin films

Sohn, Ki-Soo; Dempsey, D. G.; Kleinman, Leonard; Caruthers, Ed

doi:10.1103/physrevb.13.1515

Cited by 68 publications

(10 citation statements)

References 14 publications

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“…Such an attractive 2D local potential can pull a surface state down from the Cu bulk-band continuum into the stomach gap. Similar effects have been described theoretically in the literature, at the Cu(1 0 0) and (1 1 0) surfaces, using the tightbinding approach [53]. Upon varying the tight-binding parameters for the surface atoms, appearance of new surface states or disappearance of previously existing surface states is observed, which results from dragging a state from the bulk-band continuum into the gap or pushing back a surface state from the gap into the bulk continuum [53].…”

Section: Surface States: Microscopic Interpretationsupporting

confidence: 64%

Spin-polarization properties and electronic structure of the ordered c(2 × 2) MnCu/Cu(1 1 0) surface alloy

Wang¹,

Stojić²,

Binggeli³

2014

J. Phys.: Condens. Matter

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The spin-ordering and electronic properties of the c(2 × 2) MnCu/Cu(1 1 0) surface alloy are investigated by means of ab initio density-functional calculations. We first address the magnetic ground state and the robustness of the spin-polarization properties. The lowest-energy state is found to be ferromagnetic with a very low Curie temperature, showing that the paramagnetic phase should be established in this system at room temperature. The calculated trends obtained for the various spin structures considered indicate that the local Mn-spin moment and resulting reduced work function as well as Mn-outward buckling should persist in the paramagnetic phase. We then address the electronic surface-band structure of the paramagnetic phase close to the Fermi energy, in connection with the interpretation of recent angle-resolved-photoemission-spectroscopy experiments at room temperature. Our calculations account for an intriguing new surface-band feature observed experimentally near the [Formula: see text] point upon alloy formation, and provide a microscopic interpretation for this feature and for the alloy-induced changes in the Cu(1 1 0) Shockley surface state.

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Section: Surface States: Microscopic Interpretationsupporting

confidence: 64%

Spin-polarization properties and electronic structure of the ordered c(2 × 2) MnCu/Cu(1 1 0) surface alloy

Wang¹,

Stojić²,

Binggeli³

2014

J. Phys.: Condens. Matter

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“…There has recently been an upsurge of interest concerning the properties related to the electronic structure of very thin metal films. Calculations have shown that a film a few monolayers thick has already the bulk density of states [1,2,3]. Photoemission experiments have confirmed this prediction [4,5,6].…”

Section: To Cite This Versionmentioning

confidence: 92%

Investigation of metallic surface layers on metals by surface plasmon ATR spectroscopy

1979

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2014 Les résultats optiques obtenus par une technique de réflexion totale, atténuée avec excitation d'ondes de plasma de surface sur des films très minces de Ag, sur des surfaces de Al, sont analysés dans le voisinage de la fréquence de plasma effective de l'Ag. On montre qu'il est nécessaire de tenir compte des effets non locaux (ondes de plasma longitudinales), et que la constante diélectrique complexe des films adsorbés est alors analogue à celle de l'Ag massif.Abstract. 2014 The optical properties of very thin Ag layers on Al surfaces were investigated in the vicinity of the Ag effective plasma frequency, by attenuated total reflection with surface plasma wave excitation. The complex dielectric constant of the adsorbed layers is found to be similar to that of bulk Ag provided non-local effects (longitudinal plasma waves) are taken into account. LE JOURNAL DE PHYSIQUE -LETTRES

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“…6 This gap may be only apparent, disappearing for very thick films, as discussed by Sohn etal. 6 Operationally surface states may be defined as states that exist primarily on the outer planes of the slab and shun the central planes. Accordingly we use the following rule to select from the bands of Fig.…”

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confidence: 89%

Large Surface-State/Surface-Resonance Density on Copper (100)

1979

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The electronic structure of the Cu(100) surface has been calculated self-consistently. The calculation predicts a strong surface-state/surface-resonance band near the top of the bulk Cu d band which has not been observed in previous calculations. The large attenuation in the experimental photoemission signal at the top of the d band which is independent of photon energy and which occurs when various species are chemisorbed on Cu (100) is attributed to disturbance of this surface-state band by the chemisorbed atoms.Recent photoemission spectra 1 ' 3 for copper with various species chemisorbed on the surface show a large attenuation near the upper edge of the d band upon adsorption of nitrogen, oxygen, or sulfur. This attenuation is essentially the same for all adsorbate species and for all photon energies used. We have recently completed an elaborate self-consistent electronic structure calculation for a nine-layer Cu slab with (100) surfaces. A number of surface-state/surface-resonance bands are found including a hitherto unreported set of bands located at the upper edge of the d band. This set of bands is present over a large fraction of the two-dimensional Brillouin zone of the slab and is responsible for the most prominent structure in the theoretical density of states in the surface region. We propose that the large reduction in photoemission signal near the upper edge of the d band is a consequence of disturbance of these bands by the chemisorbed atoms.Previous electronic-structure calculations on Cu(100) show no evidence for a large surfacestate/surface-resonance density near the top of the d band. Gurman and Pendry 4 find a single surface-state band well below the top of the dband edge. Kasowski 5 finds no surface states on Cu(100). The most sophisticated existing surfacestate calculations for Cu 100) 6 " 8 predict a number of surface-state bands but no concentration of these at the top of the d band. The calculations of Refs. 6-8 actually show a lessening of the surface density of states relative to bulk near the top of the d band. It is likely that the above calculations fail to predict a large surface-state density near the top of the d band because they are not self-consistent. Our earlier calculation 9 for Cu(100) is self-consistent, but uses a three-layer-thick film, which is not thick enough to make apparent the localization of a state in the surface. Appelbaum and Hamann 10 have carried out a self-consistent calculation for the Cu(lll) surface which uses a fitting procedure for achieving self-consistency that is different from our Fourier-space technique (see below). The calculation is for eleven-layer slab so that surface localization can be observed. They report no localized states near the top of the d band which suggests that the new bands we have found may be peculiar to Cu(100).The calculations procedure used in the current nine-layer calculation is a refinement of that used in our earlier self-consistent calculations 9 ' n on metal surfaces. It is ab initio in the sense that no pseudopotenti...

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Energy bands of (100) copper thin films

Cited by 68 publications

References 14 publications

Spin-polarization properties and electronic structure of the ordered c(2 × 2) MnCu/Cu(1 1 0) surface alloy

Spin-polarization properties and electronic structure of the ordered c(2 × 2) MnCu/Cu(1 1 0) surface alloy

Investigation of metallic surface layers on metals by surface plasmon ATR spectroscopy

Large Surface-State/Surface-Resonance Density on Copper (100)

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