Abstract
We introduce a formalism to compute the neutron magnetic form factor 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 , PuSb and , and we show that is in mixed valent state, which naturally explains the measured magnetic form factor.
- Received 22 July 2010
DOI:https://doi.org/10.1103/PhysRevLett.106.016403
© 2011 The American Physical Society