6533b822fe1ef96bd127d619
RESEARCH PRODUCT
Crystal field calculations of energy levels of the Ni2+ ions in MgO
Mikhail G. BrikIlmo SildosNina Mironova-ulmanesubject
Field (physics)ChemistryMagnesiumBiophysicschemistry.chemical_elementGeneral ChemistryCondensed Matter PhysicsBiochemistryAtomic and Molecular Physics and OpticsSpectral lineIonCrystalCrystal field theoryExcited stateAtomic physicsEnergy (signal processing)description
Abstract The electronic energy levels of six-fold coordinated Ni 2+ ion in magnesium oxide MgO were calculated using the exchange charge model of crystal field theory. The calculated energetic positions of the Ni 2+ levels match well the experimental spectrum. Inclusion of the spin-orbit (SO) interaction is compulsory to account for the first excited 3 T 2g state fine structure; however, it does not explain why out of four levels arising from the 3 T 2g state, only two are seen in the experimental spectra. One possible explanation to this fact can be advanced by invoking the Jahn–Teller effect.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2013-03-01 | Journal of Luminescence |