The 2π-derived level in the adsorption system CO/Cu(110)

Rogozik, J.; Scheidt, Holger A.; Dose, V.; Prince, Kevin C.; Bradshaw, Alexander M.

doi:10.1016/0039-6028(84)90760-x

Cited by 77 publications

(9 citation statements)

References 19 publications

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“…The first assigns the lower energy bands to the triplet and singlet ͑5 → 2 * ͒ excitations, similar to physisorbed CO. [18][19][20] In this interpretation, the electronic excitations change only slightly with respect to the gas phase. This interpretation is supported by inverse photoemission studies, 21,22 which suggest that the 2 * orbitals of chemisorbed CO are at lower energies than in free CO. In contrast, in an alternative view the lower energy bands are primarily due to ͑d → 2 * ͒ CT transitions, and the 1 ͑5 → 2 * ͒ transition is found at much higher energy and contributes to the higher energy band at 13-15 eV.…”

Section: Introductionmentioning

confidence: 65%

Theoretical study of the electronic spectroscopy of CO adsorbed on Pt(111)

Besley

2005

The Journal of Chemical Physics

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The excited states of CO adsorbed on the Pt(111) surface are studied using a time-dependent density functional theory formalism. To reduce the computational cost, electronic excitations are computed within a reduced single excitation space. Using cluster models of the surface, excitation energies are computed for CO in the on-top, threefold, and bridge binding sites. On adsorption, there is a lowering of the 5sigma orbital energy. This leads to a large blueshift in the 5sigma- -> pi(CO*) excitation energy for all adsorption sites. The 1pi and 4sigma orbital energies are lowered to a lesser extent, and smaller shifts in the corresponding excitation energies are predicted. For the larger clusters, pi* excitations at lower energies are observed. These transitions correspond to excitations to virtual orbitals of pi* character which lie below the pi* orbitals of gas phase CO. These orbitals are associated predominantly with the metal atoms of the cluster. The excitation energies are also found to be sensitive to changes in the adsorption geometry. The electronic spectrum of CO on Pt(111) is simulated and the assignment of the bands observed in experimental electron energy loss spectroscopy discussed.

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Section: Introductionmentioning

confidence: 65%

Theoretical study of the electronic spectroscopy of CO adsorbed on Pt(111)

Besley

2005

The Journal of Chemical Physics

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“…Abundant experimental evidence from steady state experiments including high resolution one-photon photoemission (HR 1PPE), inverse photoemission (IPE), continuous wave two-photon photoemission (cw 2PPE) etc., fully supports this picture. [24][25][26][28][29][30][31][32][33] The first series of investigations of nonadiabatic aspects of ultrafast dynamics of quasiparticles in surface bands assumed such preexistent SS-and IP-states, [34][35][36][37][38][39][40][41] in accord with the existence of instantaneous (nonretarded) V im (z) modifying the crystal pseudopotential in the surface region.…”

Section: 5mentioning

confidence: 99%

“…The transformation of the corresponding spectra of bound states proceeds in the same interval. Using (46) we obtain in the limit t → ∞ the saturated image potential The reason for expressing the RHS of (47) in terms of R Q (ω = 0) obtainable from (29) is to emphasize the established static limit of saturated surface screening. The advantage of more compact forms (46) and (47) relative to the generating expression (45) is in that they can also be calculated using the semi-empirical N Q (ω ) available for a number of metal surfaces.…”

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confidence: 99%

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Ultrafast electronic response of Ag(111) and Cu(111) surfaces: From early excitonic transients to saturated image potential

et al. 2015

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We investigate the evolution of attosecond to femtosecond screening and emergent potentials that govern the dynamics and energetics of electrons and holes excited in the various stages of multiphoton photoemission processes and control the photoelectron yield in recently reported experiments [Nature Phys. 10, 505 (2014)]. The study is focused on the dynamical screening of holes created in pre-existent quasi-two dimensional Shockley state bands on Ag(111) and Cu(111) surfaces and of electrons excited to the intermediate and emerging screened states. Using the formalism of self-consistent electronic response we analyze first the effects of screening on the dynamics of photoexcited electrons and holes and then of the Coulomb correlated photoexcited pair. Special attention is paid to the correlated primary electron-hole states which commence as transient surface excitons and develop in the course of screening into uncorrelated electron and hole propagating in the image potential and surface state bands, respectively. The obtained results enable to establish a consistent picture of transient electron dynamics at Ag(111) and Cu(111) surfaces that are becoming accessible by the time, energy and momentum resolved pump-probe multiphoton photoelectron spectroscopies.PACS numbers: 71.10.-w, 73.20.-r, 78.47.J-, 79.60.-i

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“…Besides, a broad peak centered around 3.3 eV is observed. It can be attributed to the electronic transition from the Fermi level to the 2p-derived empty band of CO which shows a very similar energetic position and width in inverse photoemmision [15].…”

Section: Resultsmentioning

confidence: 90%

RDS investigation of adsorption and surface ordering processes on Cu(110)

Sun

Hohage

Zeppenfeld

et al. 2003

phys. stat. sol. (c)

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The optical anisotropy of Cu(110) has been studied at low temperatures by Reflectance Difference Spectroscopy. Distinct anisotropy features similar to those at room temperature are observed. Taking the second derivative of the measured spectrum, the main feature at 2.1 eV can be clearly separated into two peaks located at 2.0 eV and 2.2 eV, respectively. Adsorption experiments with different gases allow to attribute these two peaks to a surface state transition and a surface modified d-band transition according to their characteristic response to the adsorbates. Additionally, another modified bulk optical transition at 4.4 eV is found to be particularly sensitive to phase transformations such as the ð3 Â 1Þ ! ð2 Â 1Þ phase transition of CO on Cu(110). We argue that the coverage dependent adsorbate induced surface stress is responsible for this observation.

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The 2π-derived level in the adsorption system CO/Cu(110)

Cited by 77 publications

References 19 publications

Theoretical study of the electronic spectroscopy of CO adsorbed on Pt(111)

Theoretical study of the electronic spectroscopy of CO adsorbed on Pt(111)

Ultrafast electronic response of Ag(111) and Cu(111) surfaces: From early excitonic transients to saturated image potential

RDS investigation of adsorption and surface ordering processes on Cu(110)

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