Electronic structures and magnetic properties ofLaAVMoO6(A=Ca,Sr,Ba): Investigation of possible half-metallic antiferromagnets

Min Sik Park, B. I. Min
2005 Physical Review B  
We have investigated electronic structures and magnetic properties of double perovskite LaAVMoO 6 ͑A =Ca,Sr,Ba͒. The normal metallic and ferrimagnetic states are found to be ground states, contrary to the experimental speculation of possible candidates for a half-metallic antiferromagnet. We have shown that the metallic and ferrimagnetic nature of LaAVMoO 6 is very robust regardless of divalent ion replacement at A site ͑A =Ca,Sr,Ba͒, the Coulomb correlation interaction, and superlattice
more » ... gs. On the other hand, we have found that the oxygen site relaxation would lead to the nearly half-metallic electronic structure but still in the ferrimagnetic state.
doi:10.1103/physrevb.71.052405 fatcat:prx6vamsc5foderfqwwfqgmllm