6533b82bfe1ef96bd128ce00

RESEARCH PRODUCT

Crystal field and magnetism with Wannier functions: Rare-earth doped aluminum garnets

Eva MihokovaPavel NovákValentin V. Laguta

subject

rare earthsWannier functionZeeman effectStrongly Correlated Electrons (cond-mat.str-el)Condensed matter physicsMagnetismab initio calculationsFOS: Physical scienceschemistry.chemical_elementGeneral ChemistryYttriumLutetiumIongarnetssymbols.namesakeCondensed Matter::Materials ScienceCondensed Matter - Strongly Correlated ElectronschemistryGeochemistry and PetrologysymbolsCondensed Matter::Strongly Correlated ElectronsHamiltonian (quantum mechanics)crystal fieldMultiplet

description

Using the recently developed method we calculate the crystal field parameters in yttrium and lutetium aluminum garnets doped with seven trivalent Kramers rare-earth ions. We then insert calculated parameters into the atomic-like Hamiltonian taking into account the electron-electron, spin-orbit and Zeeman interactions and determine the multiplet splitting by the crystal field as well as magnetic $\hat{g}$ tensors. We compare calculated results with available experimental data.

http://arxiv.org/abs/1503.07987