The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Evidence for site-sensitive screening of core holes at the Si and Ge (001) surface
Abstract
Typically surface core-level shifts (SCLS) of clean surfaces are explained in the initial-state model, thus ignoring the screening of the photon-induced hole. We will show that this approach is not valid for the (001) surfaces of Si and Ge. Using ab initio density-functional theory we calculate the SCLS from differences of total energies of slabs containing excited atoms at different positions at the surface and in the bulk. Comparison with initial-state results reveals an enhanced screening at the surface, which is even remarkably different for the two atoms forming the surface dimer.
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Cites
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
Norm-Conserving Pseudopotentials
Hamann, D. R., Schlüter, M., & Chiang, C. (1979) · Physical Review Letters · doi:10.1103/physrevlett.43.1494 · Cited by 4,511
Cited by
First-principles computation of material properties: the ABINIT software project
Gonze, X., Beuken, J.-M., Caracas, R., Detraux, F., Fuchs, M., Rignanese, G.-M., Sindic, L., Verstraete, M., Zerah, G., Jollet, F., et al. (2002) · Computational Materials Science · doi:10.1016/s0927-0256(02)00325-7 · Cited by 3,114
The electronic structure of iridium oxide electrodes active in water splitting
Pfeifer, V., Jones, T. E., Velasco Vélez, J. J., Massué, C., Greiner, M. T., Arrigo, R., Teschner, D., Girgsdies, F., Scherzer, M., Allan, J., et al. (2016) · Physical Chemistry Chemical Physics · doi:10.1039/c5cp06997a · Cited by 422
Moretti, G. (1998) · Journal of Electron Spectroscopy and Related Phenomena · doi:10.1016/s0368-2048(98)00249-7 · Cited by 364
Metadata
- Authors
- Pehlke, E., & Scheffler, M.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1993-10-04
- Volume
- 71
- Issue
- 14
- Pages
- 2338-2341
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W2053930414
- Cited by
- 400
- References
- 2
- FWCI
- 11.50
- Type
- journal article
- Language
- en
- Open access
- closed
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- Pehlke, E., & Scheffler, M. (1993). Evidence for site-sensitive screening of core holes at the Si and Ge (001) surface. Physical Review Letters. https://doi.org/10.1103/physrevlett.71.2338
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