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Investigation of Thorium Salts As Candidate Materials for Direct Observation of the (229m)Th Nuclear Transition.
MedLine Citation:
PMID:  24937606     Owner:  NLM     Status:  Publisher    
Recent efforts to measure the (229m)Th → (229g)Th nuclear transition sparked interest in understanding the electronic structure of wide-gap thorium salts. Such materials could be used to measure this nuclear transition using optical spectroscopy in solid-state devices. Here, we present screened hybrid density functional theory and many-body G0W0 calculations of two candidate materials, namely, Na2ThF6 and ThF4, for such a measurement. Our results show an electronic gap larger than 10 eV for both materials, suggesting that the internal conversion nuclear de-excitation channel would be suppressed in these materials. We also present results for ThX4 (X = Cl, Br, I), materials with smaller gaps significantly easier to access experimentally.
Jason K Ellis; Xiao-Dong Wen; Richard L Martin
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2014-6-17
Journal Detail:
Title:  Inorganic chemistry     Volume:  -     ISSN:  1520-510X     ISO Abbreviation:  Inorg Chem     Publication Date:  2014 Jun 
Date Detail:
Created Date:  2014-6-17     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0366543     Medline TA:  Inorg Chem     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
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