Magnetism and electronic structure of (La,Ba)CoO{sub 3} (abstract)

Journal Article · Tue Apr 01 04:00:00 EST 1997 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.364893· OSTI ID:496475

Singh, D J ^[1]

---

1. Complex Systems Theory Branch, Naval Research Laboratory, Washington, DC 20375 (United States)

The (La,Ba)CoO{sub 3} perovskites have attracted recent interest because of the discovery of giant magnetoresistance in films of this material that is possibly related to the larger effects in (La,Ca)MnO{sub 3}. The present density functional studies were performed to elucidate the electronic and magnetic properties of these cobaltates and in the case of LaCoO{sub 3} the relationship to the structural parameter giving the rotation of the O octahedra. Cubic perovskite BaCoO{sub 3} is found to have a ferromagnetic ground state in agreement with experiment. Although less hybridization is expected in this system relative to manganates, the moment is still reduced noticeably from Hund{close_quote}s rule value. In LaCoO{sub 3} a strong structural instability of the cubic perovskite structure against rotation of the octahedra is found. At least two metastable ferromagnetic states are found and these couple strongly to the distortion related to the instability.

• OSTI ID: 496475
• Report Number(s): CONF-961141--
• Journal Information: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 8 Vol. 81; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
BARIUM COMPOUNDS
BARIUM OXIDES
COBALT OXIDES
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
FERROMAGNETIC MATERIALS
HYBRIDIZATION
LANTHANUM COMPOUNDS
LANTHANUM OXIDES
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
METASTABLE STATES
PEROVSKITES