Paper Titles

Preface and Conference Organization

Chemical Bonding Characteristics of Lanthanide Complexes: a Case of Valence Study
p.3

Development of the Simulation Software on the Complex Reaction Kinetics
p.7

Energy-Level Splitting of Cs₂NaYCl₆ Crystal Doped with Praeseodymium
p.11

NBO Analysis the Chlorine Anion Recognition Mechanism of the Urea-Based Involving Iodine and Fluorine Derivation Functional Molecular Material
p.15

The Computer Simulation of the Acid-Base Titration
p.20

The Junction Width Effect on Inelastic Electron Tunneling Spectroscopy in Octanethiolate Molecular Junctions
p.25

The Orientation Effect on Inelastic Electron Tunneling Spectroscopy in Octanethiolate Molecular Junctions
p.29

The Geometry Structure and Molecular Vibrational Property of the Zeatin
p.33

HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 634-638Energy-Level Splitting of Cs2NaYCl6 Crystal Doped...

Energy-Level Splitting of Cs₂NaYCl₆ Crystal Doped with Praeseodymium

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Abstract:

The 91×91 complete energy matrix of 4f2 configuration ion praeseodymium 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 praseodymium (Pr3+) in hexachloride elpasolite crystals Cs2NaYCl6 have been calculated. The calculated results display a good agreement with the experimental values, which implies that the complete energy matrix method can be received as a recommendable tool to perform a theoretical analysis to the doped crystal.

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Periodical:

Advanced Materials Research (Volumes 634-638)

Pages:

11-14

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.634-638.11

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Online since:

January 2013

Authors:

Mei Ling Duan, Jin Hong Li, Xiao Feng Yang

Keywords:

Complete Energy Matrix, Crystal Field Anisotropy, Energy-Level Structure

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© 2013 Trans Tech Publications Ltd. All Rights Reserved

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