6533b838fe1ef96bd12a4feb

RESEARCH PRODUCT

First principles calculations on CeO2 doped with Tb3+ ions

Denis GryaznovEugene A. KotominEugene A. KotominAndrei Chesnokov

subject

Materials scienceHubbard modelchemistry.chemical_element02 engineering and technologyCrystal structureElectronic structure010402 general chemistryPolaron01 natural sciencesOxygenMolecular physicsIonInorganic ChemistryCondensed Matter::Materials ScienceFormation energy of oxygen vacancyTb3+:NATURAL SCIENCES:Physics [Research Subject Categories]Electrical and Electronic EngineeringPhysical and Theoretical ChemistrySpectroscopyOrganic ChemistryDoping021001 nanoscience & nanotechnologyAtomic and Molecular Physics and Optics0104 chemical sciencesElectronic Optical and Magnetic MaterialsSmall polaronchemistry(CeTb)O20210 nano-technologyGround stateDFT+U

description

This research was funded by the Latvian Council of Science (under the grant project lzp-2018/1-0147). Authors thank W. Chueh, J. Serra, R. Merkle, A. Popov for fruitful discussions.

yearjournalcountryeditionlanguage
2019-04-01Optical Materials
10.1016/j.optmat.2019.02.016http://dx.doi.org/10.1016/j.optmat.2019.02.016