| Literature DB >> 21231758 |
Maria Elisabetta Pezzoli1, Kristjan Haule, Gabriel Kotliar.
Abstract
We introduce a formalism to compute the neutron magnetic form factor FM(q) within a first-principles density functional theory and dynamical mean field theory. 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, and we show that PuCoGa5 is in mixed valent state, which naturally explains the measured magnetic form factor.Entities:
Year: 2011 PMID: 21231758 DOI: 10.1103/PhysRevLett.106.016403
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161