Title: Band-Theoretical Description of the Magneto-Optical Spectra of UAsSe
Citation: Physical Review B, Condensed Matter vol. 53 no. 16 p. 444
Publication Year: 1996
JRC N°: JRC13185
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC13185
Type: Articles in periodicals and books
Abstract: The magneto-optical Kerr spectra of the ternary uranium compounds UAsSe are investigated using first-principles energy-band thoery. Within a band-like description of the 5f electrons, good agreement with the measured optical spectra is obtained. UAsSe is therefore the first uranium compound where density-functional theory in the local-density approximation satisfactorily explains the magneto-optical Kerr spectra. This is further evidence for at least partially itinerant 5f electrons in UAsSe, in spite of it frequently being cgaracterized as a localized 5f ekectron system. It is suggested that the 5f electrons are delocalized in planes perpendicular to the c-axis and that the magneto-optical Kerr spectra are extremely anisotropic.
JRC Directorate:Nuclear Safety and Security

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