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Cluster Models of Doped Ionic Crystal Scintillators. Quantum Calculations+

Published online by Cambridge University Press:  21 February 2011

M. Berrondo ,
J.F. Rivas-Silva  and
J.B. Czirr
M. Berrondo
Affiliation:
Department of Physics & Astronomy, Brigham Young University, Provo, UT 84602
J.F. Rivas-Silva
Affiliation:
Department of Physics & Astronomy, Brigham Young University, Provo, UT 84602 On leave from IFUAP (Mexico).
J.B. Czirr
Affiliation:
Photogenics Division, Mission Support Inc., Provo, UT 84601
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Abstract

We have performed quantum electronic ab initio calculations of clusters of alkali halides, both pure and doped. In order to estimate the pure crystal energy gap and the dopant excitation, we have considered a central cation and four shells of ions surrounding it. We have studied KC1, Nal, NaCl and KI, both pure and with a Tl+ ion replacing thecentral alkali cation. Encouraging results are presented for absorption and emission.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 348 , 1994 , 373
Copyright
Copyright © Materials Research Society 1994

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References

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