Nuclear and magnetic structural properties of Ba{sub 2}FeMoO{sub 6}

Journal Article · Sun May 01 04:00:00 EDT 2005 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.71.174421· OSTI ID:20718996

Chmaissem, O; Dabrowski, B; Kolesnik, S; Short, S; Jorgensen, J D ^[1]

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1. Department of Physics, Northern Illinois University, DeKalb, Illinois 60115 (United States) and Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

Using neutron powder diffraction, we have investigated the structure of Ba{sub 2}FeMoO{sub 6} at temperatures between 10 and 490 K. The structure of Ba{sub 2}FeMoO{sub 6} is cubic Fm3m and tetragonal I4/mmm above and below T{sub C}, respectively. The tetragonal structure exhibits a c axis that is only slightly longer than the basal a parameter. A structural distortion from the cubic symmetry is required by the ferromagnetic alignment of Fe and Mo spins along a specific axis. The ferrimagnetic structure of the Fe and Mo sublattices is well described in the magnetic I4/mm{sup '}m{sup '} space group. At 10 K, the FM moments for Fe and Mo refine to {approx}4.1(1) {mu}{sub B} and {approx}-0.58(1) {mu}{sub B}, respectively, with a total ferrimagnetic moment of {approx}3.52 {mu}{sub B}, in good agreement with the magnetization results and the high spin state of the Fe electrons. The lower than expected ferrimagnetic moment is attributed to the presence of Fe and Mo in multiple oxidation states and possible site vacancies. Bond-valence-sum calculations reveal the presence of significant strains in this system.

• OSTI ID: 20718996
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 17 Vol. 71; ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BARIUM COMPOUNDS
CRYSTALS
ELECTRONS
FCC LATTICES
FERRIMAGNETIC MATERIALS
FERROMAGNETIC MATERIALS
HIGH SPIN STATES
IRON COMPOUNDS
MAGNETIC MOMENTS
MAGNETIZATION
MOLYBDATES
NEUTRON DIFFRACTION
OXIDATION
SPACE GROUPS
SPIN
STRAINS
TETRAGONAL LATTICES
VACANCIES
VALENCE