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Published on: December 5, 2025
Computer modelling of thorium doping in LiCaAlF(6) and LiSrAlF(6): application to the development of solid state
Robert A Jackson1, Jomar B Amaral, Mario E G Valerio
1School of Physical and Geographical Sciences, Keele University, Keele, Staffordshire ST5 5BG, UK.
Abstract:
This paper describes computer modelling of thorium doping in crystalline LiCaAlF(6) and LiSrAlF(6). The study has been motivated by the interest in using these materials as hosts for (229)Th nuclei, which are being investigated for use as frequency standards. The dopant sites and form of charge compensation are obtained; this information is essential for the further development and optimization of these devices.
