Noncollinear Intra-atomic Magnetism

Abstract

An intra-atomic noncollinear magnetization density has been calculated for the case of ferromagnetic fcc Pu, by means of a newly implemented general-local-spin-density-approximation method which treats the magnetization density as a continuous vector quantity. The presence of noncollinearity is a general effect, not specific to Pu, which is shown to rise due to the interplay of the local exchange and the spin-orbit coupling. The form of the noncollinear part of the magnetization density is very sensitive to the space group symmetry as is demonstrated by calculations with the average spin moment along [001] and [111], respectively.