2015
DOI: 10.1016/j.optmat.2015.07.032
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Optical properties of Pr and Eu-doped SrAl12O19: A theoretical study

Abstract: This paper describes a computational study of extrinsic defect and optical properties of SrAl 12 O 19 induced by trivalent rare earth dopants. Solution energies for a range of possible doping mechanisms are calculated, and predictions made of doping sites and chargecompensation schemes. Atomistic modelling is used to calculate the symmetry and detailed geometry of the dopant ion-host lattice system, and this information is then used to calculate the crystal field parameters. It is found that the preferred dopi… Show more

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Cited by 12 publications
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“…Atomistic modelling methods have been widely used in studies of doped materials [16][17][18][19][20]. In these methods, the interactions between ions in the solid are described through a set of interatomic potentials.…”
Section: Modellingmentioning
confidence: 99%
“…Atomistic modelling methods have been widely used in studies of doped materials [16][17][18][19][20]. In these methods, the interactions between ions in the solid are described through a set of interatomic potentials.…”
Section: Modellingmentioning
confidence: 99%