Computer modelling of double doped SrAl2O4 for phosphor applications

2016 International Conference on Defects in Insulating Materials

Jackson, R.A.^1 ; Kavanagh, L.A.^1 ; Snelgrove, R.A.^1

Lennard-Jones Laboratories, School of Physical and Geographical Sciences, Keele University, Keele, Staffordshire, United Kingdom^1

关键词: Charge compensation mechanism;    Computer modelling;    Effect of doping;    Mean-field calculations;    Modelling studies;    Phosphor applications;    Phosphor materials;    Solution energy;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/169/1/012004/pdf
DOI  :  10.1088/1757-899X/169/1/012004

来源: IOP

【 摘 要 】

This paper describes a modelling study of SrAl2O4, which has applications as a phosphor material when doped with Eu2+and Dy3+ions. The procedure for modelling the pure and doped material is described and then results are presented for the single and double doped material. Solution energies are calculated and used to deduce dopant location, and mean field calculations are used to predict the effect of doping on crystal lattice parameter. Possible charge compensation mechanisms for Dy3+ions substituting at a Sr2+site are discussed.