6533b823fe1ef96bd127e20b

RESEARCH PRODUCT

Large orbital moments and internal magnetic fields in lithium nitridoferrate(I)

Rainer NiewaJens KlatykMarkus WaldeckF. WagnerRuediger KniepPhilipp GütlichVadim KsenofontovWalter SchnelleP. Novak

subject

PhysicsCondensed Matter::Materials ScienceMagnetizationCondensed matter physicsMagnetic momentFerromagnetismSpin polarizationGeneral Physics and AstronomyCondensed Matter::Strongly Correlated ElectronsSpin (physics)Hyperfine structureElectron magnetic dipole momentSpin magnetic moment

description

The iron nitridometalates Li2[(Li(1-x)Fe(I)(x))N] display ferromagnetic ordering and spin freezing. Large magnetic moments up to 5.0mu(B)/Fe are found in the magnetization. In Mössbauer effect studies huge hyperfine magnetic fields up to 696 kOe are observed at specific Fe sites. These extraordinary fields and moments originate in an unusual ligand field splitting for those Fe species leading [within local spin density approximation (LSDA)] to a localized orbitally degenerate doublet. Including spin-orbit interaction and strong intra-atomic electron correlation (LDA+SO+U) gives rise to a large orbital momentum.

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