Computer Modelling of Intrinsic Defects and Th Incorporation in MgF<sub>2</sub>: What we can Learn from Atomistic Modelling and DFT Approaches
نویسندگان
چکیده
Abstract The doping of MgF 2 with the 229 isotope Th is interest in development nuclear clock devices. This paper describes atomistic modelling MgF2, its intrinsic defects and doping, compares results a recent study using Density Functional Theory (DFT).
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2022
ISSN: ['1742-6588', '1742-6596']
DOI: https://doi.org/10.1088/1742-6596/2298/1/012002