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Properties of the UFe 5 Sn compound: electronic structureand X‐ray photoemission
Author(s) -
Szajek A.,
Malinowski W. L.
Publication year - 2003
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200301725
Subject(s) - orthorhombic crystal system , electronic structure , magnetic moment , tin , crystallography , chemistry , atomic physics , x ray , spectral line , tight binding , condensed matter physics , crystal structure , physics , computational chemistry , organic chemistry , quantum mechanics , astronomy
The UFe 5 Sn compound crystallizes in the orthorhombic CeCu 5 Au‐type structure having the Pnma space group with iron atoms located in four inequivalent sites. The electronic structure UFe 5 Sn compound has been studied using spin‐polarized tight binding version of the linear muffin‐tin orbital method in the atomic sphere approximation (TB LMTO ASA). The calculations showed that the magnetic moments on uranium atoms are antiparallel to the moments formed on Fe atoms, whose values depend on local environments. The X‐ray photoemission spectra were calculated.