Journal of Physics Condensed Matter · 2002 · 95 citations · 16 references
Natural SciencesChemistryPhysicsCondensed Matter PhysicsCrystal StructureMagnetic MaterialsMagnetic OxidesMagnetic Properties Of SolidsMagnetic SusceptibilityMagnetism In SolidsMagnetism Of Inorganic CompoundsBonding OrbitalsElectric SusceptibilityMagnetic Moment InteractionMagnetic Structure DeterminationPolarimetryStructure FactorsTransition Metal Magnetism
The magnetization distribution due to the Cr3+ ion in Cr2O3 has been determined using spherical neutron polarimetry. The magnetic structure factors of h 0 l reflections have been measured out to sin θ/λ = 0.75 Å-1. The results show that the Cr3+ magnetic moment is reduced by the zero-point spin deviation and by covalent mixing to 2.48 µB. They are consistent with the Cr d electrons being in the trigonally symmetric a1 and e orbitals derived from the cubic orbitals with t2g symmetry. There is a small but significant magnetization which is not accounted for by these orbitals, which is attributed to covalent overlap. Its symmetry is consistent with the magneto-electric susceptibility.
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Roothaan-Hartree-Fock atomic wavefunctions
E. Clementi, C. Roetti · Atomic Data and Nuclear Data Tables · 1974 · 5.5K citations
Magnetic Moment Distribution of Nickel Metal
H. A. Mook · Physical Review · 1966 · 229 citations