Pseudo-half-metalicity in the double perovskite Sr$_2$CrReO$_6$ from density-functional calculations

Details Pseudo-half-metalicity in the double perovskite Sr$_2$CrReO$_6$ from density-functional calculations Pseudo-half-metalicity in the double perovskite Sr$_2$CrReO$_6$ from density-functional calculations

2004-09-16

arxiv.org/abs/cond-mat/0409419v1

Physics

Condensed Matter

Materials Science

3 Pages, 1 figure, 1 Table

Scientific paper

10.1063/1.1855418

The electronic structure of the spintronic material Sr$_2$CrReO$_6$ is studied by means of full-potential linear muffin-tin orbital method. Scalar relativistic calculations predict Sr$_2$CrReO$_6$ to be half-metallic with a magnetic moment of 1 $\mu_B$. When spin-orbit coupling is included, the half-metallic gap closes into a pseudo-gap, and an unquenched rhenium orbital moment appears, resulting in a significant increase of the total magnetic moment to 1.28 $\mu_B$. This moment is significantly larger than the experimental moment of 0.9 $\mu_B$. A possible explanation of this discrepancy is that the anti-site disorder in Sr$_2$CrReO$_6$ is significantly larger than hitherto assumed.

Affiliated with

Also associated with

No associations

Rating

Pseudo-half-metalicity in the double perovskite Sr$_2$CrReO$_6$ from density-functional 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 Pseudo-half-metalicity in the double perovskite Sr$_2$CrReO$_6$ from density-functional calculations, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Pseudo-half-metalicity in the double perovskite Sr$_2$CrReO$_6$ from density-functional calculations will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-199787