The Electronic and Magnetic Properties of UGe Compound |
| M. Werwiński and A. Szajek
Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland |
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| The UGe system crystallizes in the orthorhombic ThIn-type structure. The uranium atoms occupy three crystallographic sites with interatomic U-U distances like below and above the Hill limit. The band structure has been calculated by using the density functional theory and generalized gradient approximation. Ab initio calculations were performed based on the full-potential local-orbital minimum-basis code. Calculations showed that all three types of uranium atoms are magnetically ordered with antiparallel alignment of the magnetic moments. For uranium atoms with an interatomic distance below the Hill limit magnetic moments are significantly reduced due to hybridization effects. |
| DOI: 10.12693/APhysPolA.118.886 PACS numbers: 71.20.-b, 75.25.-j |