Multiplet effects in the electronic structure of heavy rare-earth metals
2006 (English)In: JOURNAL OF PHYSICS-CONDENSED MATTER, ISSN 0953-8984, Vol. 18, 6329- p.Article in journal (Refereed) Published
The spectroscopic properties of elemental terbium, dysprosium, holmium, and erbium are investigated using first-principles calculations taking into account intra-atomic correlation effects. In order to describe the strongly localized f electrons together with the conduction bands, we have used the multiband Hubbard-I approximation to reproduce the multiplet features present in the experimental spectra. A comparison with available experimental data is made and the overall agreement is found to be good.
Place, publisher, year, edition, pages
2006. Vol. 18, 6329- p.
MAGNETIC CIRCULAR-DICHROISM, CALCULATED PHOTOEMISSION SPECTRA, VALENCE BAND DENSITY, NARROW ENERGY BANDS, CORRELATED SYSTEMS, 4F STATES, TERBIUM
IdentifiersURN: urn:nbn:se:uu:diva-19279DOI: doi:10.1088/0953-8984/18/27/015OAI: oai:DiVA.org:uu-19279DiVA: diva2:47051