First-principles approach to Non-Collinear Magnetism: towards Spin-dynamics

Details First-principles approach to Non-Collinear Magnetism: towards Spin-dynamics First-principles approach to Non-Collinear Magnetism: towards Spin-dynamics

2005-10-29

arxiv.org/abs/cond-mat/0510800v3

Physics

Condensed Matter

Materials Science

4 pages 2 fig accepted in Phys. Rev. Lett. (2007)

Scientific paper

A description of non-collinear magnetism in the framework of spin-density functional theory is presented for the exact exchange energy functional which depends explicitly on two-component spinor orbitals. The equations for the effective Kohn-Sham scalar potential and magnetic field are derived within the optimized effective potential (OEP) framework. With the example of a magnetically frustrated Cr monolayer it is shown that the resulting magnetization density exhibits much more non-collinear structure than standard calculations. Furthermore, a time-dependent generalization of the non-collinear OEP method is well suited for an ab-initio description of spin dynamics. We also show that the magnetic moments of solids Fe, Co and Ni are well reproduced.

Affiliated with

Also associated with

No associations

Rating

First-principles approach to Non-Collinear Magnetism: towards Spin-dynamics does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with First-principles approach to Non-Collinear Magnetism: towards Spin-dynamics, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and First-principles approach to Non-Collinear Magnetism: towards Spin-dynamics will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-546008