Search results for "Formation energy of oxygen vacancy"

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First principles calculations on CeO2 doped with Tb3+ ions

2019

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.

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+UOptical Materials

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