Coulomb-U and magnetic moment collapse in $\delta$-Pu

Abstract

The around-the-mean-field version of the LDA+U method is applied to investigate electron correlation effects in $\delta$-Pu. It yields a non-magnetic ground state of $\delta -$Pu, and provides a good agreement with experimental equilibrium volume, bulk modulus and explains important features of the photoelectron spectra.

References in corpus (6)

• Correlated metals and the LDA+U method
• Implementation of the LDA+U method using the full potential linearized augmented plane wave basis
• Absence of magnetic moments in plutonium
• Ground State Theory of delta-Pu
• Magnetism, Spin-Orbit Coupling, and Superconducting Pairing in UGe${}_2$
• Nuclear Magnetic Resonance Studies of delta-Stabilized Plutonium

Cited by in corpus (41)

• Nature of the 5f states in actinide metals
• What is the valence of a correlated solid? The double life of delta-plutonium
• Absence of magnetic moments in plutonium
• Anisotropy and Magnetism in the LSDA+U Method
• Magnetic state of plutonium ion in metallic Pu and its compounds
• Multipole decomposition of LDA+$U$ energy and its application to actinides compounds
• First-principles theory of magnetic multipoles in condensed matter systems
• Site-Selective Electronic Correlation in alpha-Plutonium Metal
• Spectral Properties of delta-Plutonium: Sensitivity to 5f Occupancy
• Microscopic theory of the insulating electronic ground states of actinide dioxides AnO2 (An=U, Np, Pu, Am, and Cm)
• Electronic structure and non-magnetic character of $\delta$-Pu-Am alloys
• An dynamical-mean-field-theory investigation of specific heat and electronic structure of $\alpha$ and $\delta$-plutonium
• Nature of non-magnetic strongly-correlated state in delta-plutonium
• 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
• DFT+U+J with linear response parameters predicts non-magnetic oxide band gaps with hybrid-functional accuracy
• Nature of the 5$f$ electronic structure of plutonium
• Correlation effects in electronic structure of PuCoGa5
• Electronic structure, magnetism and exchange integrals in transition metal oxides: role of the spin polarization of the functional in DFT+$U$ calculations
• Does hybrid density functional theory predict a non-magnetic ground state for delta-Plutonium?
• Exchange energy dominated by large orbital spin-currents in $\delta$-Pu
• Half-metallicity and magnetism in the Co${}_2$MnAl/CoMnVAl heterostructure
• Effective Coulomb interaction in actinides from linear response approach
• Dynamical mean field theory of correlated gap formation in Pu monochalcogenides
• One-Electron Physics of the Actinides
• Magnetism and electronic structure calculation of SmN
• Magnetic state and electronic structure of plutonium from ``first principles'' calculations
• Magnetic polarization of the americium $J=0$ ground state in AmFe${}_2$
• Competition between Kondo and RKKY exchange couplings in Pu{1-x}Am{x} alloys
• Phase stabilization by electronic entropy in plutonium
• First-principles study of the Kondo physics of a single Pu impurity in a Th host
• Electronic structure and magnetic state of transuranium metals under pressure
• Magnetism between magnetic adatoms on monolayer NbSe${}_2$
• New limits on the ordered moments in alpha-Pu and Ga-stabilized delta-Pu
• PuPt2In7: a computational and experimental investigation
• Density-functional study of plutonium monoxide monohydride
• The influence of defects on magnetic properties of fcc-Pu
• Applicability of DFT + U to U metal and U-Zr alloy
• Electronic correlations and topology in Kondo insulator PuB${}_6$
• Microscopic investigation of enhanced Pauli paramagnetism in metallic Pu${}_2$C${}_3$