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The electronic and magnetic properties of Pu monopnictides and monochalcogenides, PuX (X = N, P, As, Sb, Bi, O, S, Se, Te, Po), are studied using the ab initio>"> self-interaction-corrected local spin-density approximation. This approach allows for an integer number of f-states to be localized, while the remaining f-electron degrees of freedom are available for band formation. By varying...
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PACS. 71.27.+A STRONGLY CORRELATED ELECTRON SYSTEMS; HEAVY FERMIONS – 71.28.+D NARROW-BAND SYSTEMS; INTERMEDIATE-VALENCE SOLIDS – 71.15.NC TOTAL ENERGY AND COHESIVE ENERGY CALCULATIONS
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