Abstract
We have investigated electronic structures and magnetic properties of double perovskite . 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 is very robust regardless of divalent ion replacement at site , the Coulomb correlation interaction, and superlattice stackings. 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.
- Received 23 September 2004
DOI:https://doi.org/10.1103/PhysRevB.71.052405
©2005 American Physical Society