Defect chemistry of doped bixbyite oxides

Mark R. Levy; Christopher R. Stanek; Alexander Chroneos; Robin W. Grimes

doi:10.1016/j.solidstatesciences.2007.02.009

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Defect chemistry of doped bixbyite oxides

Journal article

Peer reviewed

Defect chemistry of doped bixbyite oxides

Mark R. Levy, Christopher R. Stanek, Alexander Chroneos and Robin W. Grimes

Solid state sciences, Vol.9(7), pp.588-593

2007

DOI: https://doi.org/10.1016/j.solidstatesciences.2007.02.009

Abstract and subjects

Atomistic simulation

Bixbyite

Defect energies

Oxides

Rare earth

Scintillators

Activated bixbyite oxides (e.g. Eu:Lu 2O 3) are being considered as radiation detectors. In an attempt to improve their optical efficiency and decrease afterglow, these compounds have been doped with aliovalent cations. Here, atomistic scale computer simulation has been used to predict the defect processes associated with the solution of extrinsic divalent and tetravalent ions. These calculations provide a mechanistic framework through which it is possible to identify how specific doping schemes modify the populations of defects that could influence scintillator performance. A change in solution site preference is predicted for both divalent and tetravalent solutions as a function of dopant and host lattice cation radii. [Display omitted]

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Title: Defect chemistry of doped bixbyite oxides
Authors/Creators - name: Mark R. Levy
Christopher R. Stanek
Alexander Chroneos
Robin W. Grimes
Publication Details: Solid state sciences, Vol.9(7), pp.588-593
Publisher: Elsevier Masson SAS
Language: English
Resource Type: Journal article
DOI: https://doi.org/10.1016/j.solidstatesciences.2007.02.009
Publication ISSN: 1293-2558; 1873-3085