The influence of the rare earth ions radii on the Low Spin to Intermediate Spin state transition in lanthanide cobaltite perovskites: LaCoO3 vs. HoCoO3

Details The influence of the rare earth ions radii on the Low Spin to Intermediate Spin state transition in lanthanide cobaltite perovskites: LaCoO3 vs. HoCoO3 The influence of the rare earth ions radii on the Low Spin to Intermediate Spin state transition in lanthanide cobaltite perovskites: LaCoO3 vs. HoCoO3

2003-06-08

arxiv.org/abs/cond-mat/0306201v1

Phys. Rev. B 68, 235113 (2003)

Physics

Condensed Matter

Strongly Correlated Electrons

13 pages, 6 figures

Scientific paper

10.1103/PhysRevB.68.235113

We present first principles LDA+U calculations of electronic structure and magnetic state for LaCoO3 and HoCoO3. Low Spin to Intermediate Spin state transition was found in our calculations using experimental crystallographic data for both materials with a much higher transition temperature for HoCoO3, which agrees well with the experimental estimations. Low Spin state t6e0 (non-magnetic) to Intermediate Spin state t5e1 (magnetic) transition of Co(3+) ions happens due to the competition between crystal field t_2g-e_g splitting and effective exchange interaction between 3$d$ spin-orbitals. We show that the difference in crystal structure parameters for HoCoO3 and LaCoO3 due to the smaller ionic radius of Ho ion comparing with La ion results in stronger crystal field splitting for HoCoO3 (0.09 eV ~ 1000 K larger than for LaCoO3) and hence tip the balance between the Low Spin and Intermediate Spin states to the non-magnetic solution in HoCoO3.

Affiliated with

Also associated with

No associations

Rating

The influence of the rare earth ions radii on the Low Spin to Intermediate Spin state transition in lanthanide cobaltite perovskites: LaCoO3 vs. HoCoO3 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 The influence of the rare earth ions radii on the Low Spin to Intermediate Spin state transition in lanthanide cobaltite perovskites: LaCoO3 vs. HoCoO3, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and The influence of the rare earth ions radii on the Low Spin to Intermediate Spin state transition in lanthanide cobaltite perovskites: LaCoO3 vs. HoCoO3 will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-209711