Computer Modelling of Intrinsic Defects and Th Incorporation in MgF 2 : What we can Learn from Atomistic Modelling and DFT Approaches
Abstract The doping of MgF 2 with the 229 isotope of Th is of interest in the development of nuclear clock devices. This paper describes atomistic modelling of MgF2, its intrinsic defects and Th doping, and compares the results with a recent study using Density Functional Theory (DFT).
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| Published in | Journal of physics. Conference series Vol. 2298; no. 1; p. 12002 |
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| Main Authors | , |
| Format | Journal Article |
| Language | English |
| Published |
01.08.2022
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| Online Access | Get full text |
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| Summary: | Abstract
The doping of MgF
2
with the 229 isotope of Th is of interest in the development of nuclear clock devices. This paper describes atomistic modelling of MgF2, its intrinsic defects and Th doping, and compares the results with a recent study using Density Functional Theory (DFT). |
|---|---|
| ISSN: | 1742-6588 1742-6596 |
| DOI: | 10.1088/1742-6596/2298/1/012002 |