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Electronic structure of CeF.sub.3./sub. and TbF.sub.3./sub. by valence-band XPS and theory
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SYSNO ASEP 0329994 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Electronic structure of CeF3 and TbF3 by valence-band XPS and theory Title Elektronová struktura CeF3 a TbF3 s pomocí XPS valenčního pásu a teorie Author(s) Klier, K. (US)
Novák, Pavel (FZU-D) RID, ORCID
Miller, A.C. (US)
Spirko, J.A. (US)
Hatalis, M.K. (US)Source Title Journal of Physics and Chemistry of Solids. - : Elsevier - ISSN 0022-3697
Roč. 70, č. 9 (2009), s. 1302-1311Number of pages 10 s. Language eng - English Country GB - United Kingdom Keywords inorganic compounds ; ab initio calculations ; photoelectron spectroscopy Subject RIV BM - Solid Matter Physics ; Magnetism CEZ AV0Z10100521 - FZU-D (2005-2011) UT WOS 000270123000011 DOI 10.1016/j.jpcs.2009.07.024 Annotation Electronic structures of the rare earth trifluorides CeF3 and TbF3 were examined by highresolution valence-band X-ray photoelectron spectroscopy (VB-XPS) and all-electron density functional theory. Calculations using the Perdew–Burke–Ernzerhof functional and the LDA+U method were carried out and compared to VB-XPS. The calculations show a quantitative account for the observed VB-XPS spectra. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2010
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