Density functional analysis of the simultaneous charge/spin order and the associated Cu-Fe intersite charge transfer in LaCu3Fe4O12

Details Density functional analysis of the simultaneous charge/spin order and the associated Cu-Fe intersite charge transfer in LaCu3Fe4O12 Density functional analysis of the simultaneous charge/spin order and the associated Cu-Fe intersite charge transfer in LaCu3Fe4O12

2009-04-30

arxiv.org/abs/0904.4809v1

Physics

Condensed Matter

Materials Science

15 pages, 4 figures, 2 tables

Scientific paper

LaCu3Fe4O12 undergoes a phase transition at 393 K involving the spin order (SO) of the Fe sites and the charge order (CO) resulting in Cu-Fe intersite charge transfer. On the basis of density functional calculations, we show that this simultaneous CO/SO phenomenon is a consequence of two electronic effects, namely, the competition between the Fe-Fe and Fe-Cu antiferromagnetic spin exchange and the dependence of the width of the Fe d-block bands on the SO of the Fe atoms.

Affiliated with

Also associated with

No associations

Rating

Density functional analysis of the simultaneous charge/spin order and the associated Cu-Fe intersite charge transfer in LaCu3Fe4O12 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 Density functional analysis of the simultaneous charge/spin order and the associated Cu-Fe intersite charge transfer in LaCu3Fe4O12, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Density functional analysis of the simultaneous charge/spin order and the associated Cu-Fe intersite charge transfer in LaCu3Fe4O12 will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-443343