Electronic structure and non-magnetic character of $\delta$-Pu-Am alloys

Abstract

The {\em around-mean-field} LSDA+U correlated band theory is applied to investigate the electronic and magnetic structure of $fcc$-Pu-Am alloys. Despite a lattice expansion caused by the Am atoms, neither tendency to 5$f$ localization nor formation of local magnetic moments on Pu atoms in Pu-Am alloys are found. The $5f$-manifolds in the alloys are calculated being very similar to a simple weighted superposition of elemental Pu and Am $5f$-states.

References in corpus (7)

• Ab initio calculations of quasiparticle band structure in correlated systems: LDA++ approach
• Implementation of the LDA+U method using the full potential linearized augmented plane wave basis
• Absence of magnetic moments in plutonium
• Magnetism, Spin-Orbit Coupling, and Superconducting Pairing in UGe${}_2$
• Magnetic state of plutonium ion in metallic Pu and its compounds
• Coulomb-U and magnetic moment collapse in $\delta$-Pu
• Modeling the actinides with disordered local moments

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• Microscopic theory of the insulating electronic ground states of actinide dioxides AnO2 (An=U, Np, Pu, Am, and Cm)
• Multiplet effects in the electronic structure of $\delta$-Pu, Am and their compounds
• Self-interaction Corrected Local Spin Density Theory of 5f Electron Localization in Actindes
• Electronic structure and spectral properties of Am, Cm and Bk: Charge density self-consistent LDA+HIA calculations in FP-LAPW basis
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• Competition between Kondo and RKKY exchange couplings in Pu{1-x}Am{x} alloys
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• A Density Functional Study of Atomic Hydrogen and Oxygen Chemisorption on the Relaxed (0001) Surface of Double Hexagonal Close Packed Americium
• Adsorption and dissociation of molecular oxygen on the (0001) surface of double hexagonal close packed americium
• On the Convergence of the Electronic Structure Properties of the FCC Americium (001) Surface
• Correlated 5f electronic states and phase stability in americium under high pressure: Insights from DFT+DMFT calculations