Magnetic and electronic structures of superconducting RuSr{sub 2}GdCu{sub 2}O{sub 8}

Journal Article · Mon Jan 01 04:00:00 EST 2001 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.63.024507· OSTI ID:40205518

Nakamura, K; Park, K T; Freeman, A J; Jorgensen, J D

The coexistence of ferromagnetism and superconductivity in RuSr{sub 2}GdCu{sub 2}O{sub 8} was reported both from experiments (by Tallon ) and first-principles calculations (by Pickett ). Here we report that our first-principles full-potential linearized augmented plane wave calculations, employing the precise crystal structure with structural distortions (i.e., RuO{sub 6} rotations) determined by neutron diffraction, demonstrate that antiferromagnetic ordering of the Ru moments is energetically favored over the previously proposed ferromagnetic ordering. Our results are consistent with recently performed magnetic neutron diffraction experiments (Lynn ). Ru t{sub 2g} states, which are responsible for the magnetism, have only a very small interaction with Cu e{sub g} states, which results in a small exchange splitting of these states. The Fermi surface, characterized by strongly hybridized dp{sigma} orbitals, has nesting features similar to those in the two-dimensional high-T{sub c} cuprate superconductors.

• Sponsoring Organization: (US)
• OSTI ID: 40205518
• Journal Information: Physical Review B, Journal Name: Physical Review B Journal Issue: 2 Vol. 63; ISSN 0163-1829
• Publisher: The American Physical Society
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CRYSTAL STRUCTURE
CUPRATES
ELECTRONIC STRUCTURE
FERMI LEVEL
FERROMAGNETISM
MAGNETISM
NEUTRON DIFFRACTION
SUPERCONDUCTIVITY
SUPERCONDUCTORS