Neutron magnetic form factor in strongly correlated materials

Abstract

We introduce a formalism to compute the neutron magnetic form factor Fm(q) within a first-principles Density Functional Theory (DFT) + Dynamical Mean Field Theory (DMFT). The approach treats spin and orbital interactions on the same footing and reduces to earlier methods in the fully localized or the fully itinerant limit. We test the method on various actinides of current interest NpCoGa5, PuSb and PuCoGa5; we show that PuCoGa5 is in mixed valent state, which naturally explains the measured magnetic form factor.

4 pages with additional 4 pages of supplementary material

References in corpus (7)

• Dynamical Mean-Field Theory within the Full-Potential Methods: Electronic structure of Ce-115 materials
• Orbital magnetization in periodic insulators
• What is the valence of a correlated solid? The double life of delta-plutonium
• Heavy electrons and the symplectic symmetry of spin
• Supplementary material to Heavy electrons and the symplectic symmetry of spin
• Valence Fluctuations and Quasiparticle Multiplets in Pu Chalcogenides and Pnictides
• Magnetic Excitations in NpCoGa5

Cited by in corpus (15)

• The Valence-Fluctuating Ground State of Plutonium
• Covalency in transition metal oxides within all-electron Dynamical Mean Field Theory
• Strong-coupling d-wave superconductivity in PuCoGa_5 probed by point contact spectroscopy
• Avoided Valence Transition in a Plutonium Superconductor
• Electronic Structure and Correlation Effects in PuCoIn5 as compared to PuCoGa5
• Synchrotron Radiation Techniques and their Application to Actinide Materials
• Spin-fluctuations and the peak-dip-hump feature in the photoemission spectrum of actinides
• $\alpha -\gamma$ transition in cerium: magnetic form factor and dynamic magnetic susceptibility in dynamical mean-field theory
• Theory of nodal s+- wave pairing symmetry in the Pu-based 115 superconductor family
• Magnetic polarization of the americium $J=0$ ground state in AmFe${}_2$
• LDA+DMFT Approach to Magnetocrystalline Anisotropy of Strong Magnets
• Probing magnetism in the vortex phase of PuCoGa${}_5$ by X-ray magnetic circular dichroism
• Thermal Expansion of the Heavy-fermion Superconductor PuCoGa${}_5$
• Multiple Quantum Phase Transitions of Plutonium compounds
• Self-consistent spin-fluctuation spectrum and correlated electronic structure of actinides