Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2006-05-23
Physical Review B (2006) (in print)
Physics
Condensed Matter
Strongly Correlated Electrons
8 figures
Scientific paper
10.1103/PhysRevB.73.235110
We investigate the electronic structure of SrRuO3 and CaRuO3 using full potential linearized augmented plane wave method within the local spin density approximations. The ferromagnetic ground state in SrRuO3 could exactly be described in these calculations and the calculated spin magnetic moment is found to be close to the experimentally observed values. Interestingly, the spin polarized calculations for CaRuO3 exhibit large spin moment as observed in the experiments but the magnetic ground state has higher energy than that in the non-magnetic solution. Various calculations for different structural configurations indicate that Ca-O covalency plays the key role in determining the electronic structure and thereby the magnetic ground state in this system.
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