The Electronic and Magnetic Properties of the USn 2 Compound
A. Szajek
Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznań, Poland
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Received: August 27, 2003; revised version April 20, 2004
The ab initio self-consistent calculations were performed for USn 2 compound, which crystallizes in the ZrGa 2 -type structure (Cmmm space group). The tight binding linear muffin-tin orbital method in the atomic sphere approximation was used in the calculations. The spin-polarized calculations confirmed the antiferromagnetic order in the USn 2 system. The magnetic moment is predominantly located on the uranium atoms and is formed mainly by the f electrons. The three types of Sn atoms may be treated as non-magnetic.
DOI: 10.12693/APhysPolA.105.485
PACS numbers: 71.20.--b, 75.25.+z