Chemical stability and Ce doping of LiMgAlF6 neutron scintillator

Du, M. H.

doi:10.1016/j.jallcom.2014.11.022

Title: Chemical stability and Ce doping of LiMgAlF₆ neutron scintillator

Journal Article · Thu Nov 13 00:00:00 EST 2014 · Journal of Alloys and Compounds

DOI:https://doi.org/10.1016/j.jallcom.2014.11.022· OSTI ID:1185672

Du, M. H. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

We perform density functional calculations to investigate LiMgAlF₆ as a potential neutron scintillator material. The calculations of enthalpy of formation and phase diagram show that single-phase LiMgAlF₆ can be grown but it should be more difficult than growing LiCaAlF₆ and LiSrAlF₆. Moreover, the formation energy calculations for substitutional Ce show that the concentration of Ce on the Al site is negligible but a high concentration (>1 at.%) of Ce on the Mg site is attainable provided that the Fermi level is more than 5 eV lower than the conduction band minimum. Acceptor doping should promote Ce incorporation in LiMgAlF₆.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1185672

Alternate ID(s):: OSTI ID: 1318772

Journal Information:: Journal of Alloys and Compounds, Vol. 622, Issue C; ISSN 0925-8388

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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