Exchange coupling in transition metal monoxides: Electronic structure calculations

Details Exchange coupling in transition metal monoxides: Electronic structure calculations Exchange coupling in transition metal monoxides: Electronic structure calculations

2009-05-04

arxiv.org/abs/0905.0391v1

Physics

Condensed Matter

Other Condensed Matter

5 figures

Scientific paper

10.1103/PhysRevB.80.014408

An ab initio study of magnetic exchange interactions in antiferromagnetic and strongly correlated 3d transition metal monoxides is presented. Their electronic structure is calculated using the local self-interaction correction approach, implemented within the Korringa-Kohn-Rostoker band structure method, which is based on multiple scattering theory. The Heisenberg exchange constants are evaluated with the magnetic force theorem. Based on these the corresponding Neel temperatures T_N and spin wave dispersions are calculated. The Neel temperatures are obtained using mean field approximation, random phase approximation and Monte Carlo simulations. The pressure dependence of T_N is investigated using exchange constants calculated for different lattice constants. All the calculated results are compared to experimental data.

Affiliated with

Also associated with

No associations

Rating

Exchange coupling in transition metal monoxides: Electronic structure calculations 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 Exchange coupling in transition metal monoxides: Electronic structure calculations, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Exchange coupling in transition metal monoxides: Electronic structure calculations will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-199611