Theoretical study of ultraviolet photoemission spectra of noble metals

• Published in: Journal of electron spectroscopy and related phenomena Vol. 68; pp. 157 - 166
• Main Authors: Krasovskii, E.E., Yaresko, A.N., Antonov, V.N.
• Format: Journal Article Conference Proceeding
• Language: English
• Published: Amsterdam Elsevier B.V 06.05.1994; Elsevier
• 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; Band structure; Theoretical study; Photoelectron spectroscopy; APW calculations; Optical conductivity; Silver; Ultraviolet radiation; Transition elements; Noble metals; Copper; Energy-level density; Local density approximation; LMTO method
• ISSN: 0368-2048; 1873-2526
• DOI: 10.1016/0368-2048(94)02113-9

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.