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Theoretical Study of Energy-Level Splitting of Cs2NaPrCl6 Crystal

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Abstract:

The 91×91 complete energy matrix of 4f2 configuration ion Pr3+ in octahedral cubic crystal field has been constructed based upon the combination of Racah’s group-theoretical consideration with Slater’s wavefunctions. The energy levels of the neat hexachloride elpasolite crystals Cs2NaPrCl6 containing rare earth Pr3+ ion have been calculated. The results imply that the diagonalization to the complete energy matrix can be received as an effective method of performing a theoretical calculation to the rare earth compounds.

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Periodical:

Applied Mechanics and Materials (Volumes 268-270)

Pages:

11-14

DOI:

https://doi.org/10.4028/www.scientific.net/AMM.268-270.11

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Online since:

December 2012

Authors:

Mei Ling Duan, Jin Hong Li, Xiao Feng Yang

Keywords:

Complete Energy Matrix, Energy-Level Structure, Rare Earth Ion

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© 2013 Trans Tech Publications Ltd. All Rights Reserved

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