Neutron magnetic form factor in strongly correlated materials

Details Neutron magnetic form factor in strongly correlated materials Neutron magnetic form factor in strongly correlated materials

2010-07-22

arxiv.org/abs/1007.3997v2

Physical Review Letters 106, 016403 (2011)

Physics

Condensed Matter

Strongly Correlated Electrons

4 pages with additional 4 pages of supplementary material

Scientific paper

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.

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