Theoretical study of ultraviolet photoemission spectra of noble metals

The formalism of a new version of the LAPW method is presented. The new method (ELAPW) is shown to yield accurate eigenenergies and wavefunctions in the energy interval up to 4Ry above the Fermi level. A semi-relativistic version of ELAPW is used to calculate the band structure of Cu and Ag. The ban...

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Bibliographic Details
Published in:Journal of electron spectroscopy and related phenomena 1994-05, Vol.68, p.157-166
Main Authors: Krasovskii, E.E., Yaresko, A.N., Antonov, V.N.
Format: Article
Language:English
Subjects:
Applied sciences
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Electron and ion emission by liquids and solids
impact phenomena
Electron density of states and band structure of crystalline solids
Electron states
Electronic structure of liquid metals and semiconductors and their alloys
Exact sciences and technology
Metals. Metallurgy
Methods of electronic structure calculations
Photoemission and photoelectron spectra
Physics
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Summary:The formalism of a new version of the LAPW method is presented. The new method (ELAPW) is shown to yield accurate eigenenergies and wavefunctions in the energy interval up to 4Ry above the Fermi level. A semi-relativistic version of ELAPW is used to calculate the band structure of Cu and Ag. The band structure of Au is calculated by the fully relativistic LMTO. The ab initio band structure is transformed so as to generate the measured optical spectra. The model band structure is used to calculate the ultraviolet photoemission spectra of noble metals.
ISSN:0368-2048
1873-2526
DOI:10.1016/0368-2048(94)02113-9