Comparative study of FeCr2S4 and FeSc2S4: Spinels with orbitally active A site

Details Comparative study of FeCr2S4 and FeSc2S4: Spinels with orbitally active A site Comparative study of FeCr2S4 and FeSc2S4: Spinels with orbitally active A site

2010-07-16

arxiv.org/abs/1007.2753v1

Phys. Rev. B 82, 041105(R) (2010)

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, 4 figures Phys Rev B (rapid commun) to appear (2010)

Scientific paper

10.1103/PhysRevB.82.041105

Using first-principles density functional calculations, we perform a comparative study of two Fe based spinel compounds, FeCr2S4 and FeSc2S4. Though both systems contain an orbitally active A site with an Fe2+ ion, their properties are rather dissimilar. Our study unravels the microscopic origin of their behavior driven by the differences in hybridization of Fe d states with Cr/Sc d states and S p states in the two cases. This leads to important differences in the nature of the magnetic exchanges as well as the nearest versus next nearest neighbor exchange parameter ratios, resulting into significant frustration effects in FeSc2S4 which are absent in FeCr2S4.

Affiliated with

Also associated with

No associations

Rating

Comparative study of FeCr2S4 and FeSc2S4: Spinels with orbitally active A site 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 Comparative study of FeCr2S4 and FeSc2S4: Spinels with orbitally active A site, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Comparative study of FeCr2S4 and FeSc2S4: Spinels with orbitally active A site will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-50989