2009
DOI: 10.1088/0953-8984/21/32/325403
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Computer modelling of thorium doping in LiCaAlF6and LiSrAlF6: application to the development of solid state optical frequency devices

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.

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Cited by 20 publications
(17 citation statements)
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“…229 Th 4þ ions are expected to substitute at the Ca 2þ location in LiCAF along with two F À interstitials for charge compensation [38]. Because of the octahedral symmetry of the Ca site, electric field gradient effects will be minimized.…”
mentioning
confidence: 99%
“…229 Th 4þ ions are expected to substitute at the Ca 2þ location in LiCAF along with two F À interstitials for charge compensation [38]. Because of the octahedral symmetry of the Ca site, electric field gradient effects will be minimized.…”
mentioning
confidence: 99%
“…In the 229 Th:LiCaAlF 6 crystal the leading contribution to EFG at the Th 4+ ion site comes from F − ions, which compensate the extra charge 2 + . These ions are located in interstitial sites in the vicinity of Th 4+ [21,22]. An estimation gives φ zz ≃ −10 18 V cm −2 at the Th 4+ site in 229 Th:LiCaAlF 6 .…”
mentioning
confidence: 99%
“…The crystal-lattice nuclear clock approach makes important use of a suppression of the internal-conversion decay of the isomeric state by choosing large-band-gap crystals like, e.g., MgF 2 , CaF 2 or LiSrAlF 6 as host materials for the 229 Th ions, which possess a 4+ charge state due to their position in the crystal lattice [79,85,127,150,262,287]. In this way, the radiative decay of 229m Th will become observable and no shortening of the isomer's lifetime due to internal conversion occurs, leading to a reduction of the transition linewidth and thus to a higher sensitivity for any laser detuning.…”
Section: Stability Performance Of a Crystal-lattice Clockmentioning
confidence: 99%
“…These crystals are expected to also provide the basis for solid-state nuclear frequency standards [179]. Significant progress has been made in crystal development and theoretical understanding [9,79,85,107,127,150,178,262,287,316,335,337]. Two experimental results using synchrotron radiation have been reported, which were, however, negative: the first one performed by UCLA, using the Advanced Light Source (ALS) of the Lawrence Berkeley National Laboratory [151,152] the second one performed by the Technical University of Vienna, using the Metrology Light Source (MLS) in Berlin, Germany [338].…”
Section: Population Via Direct Excitationmentioning
confidence: 99%