First-principles calculation of crystal-field parameters inNd2Fe14B

1989 ◽  
Vol 39 (16) ◽  
pp. 12018-12026 ◽  
Author(s):  
Xue-Fu Zhong ◽  
W. Y. Ching
Keyword(s):  
Crystal Field ◽  
First Principles ◽  
First Principles Calculation ◽  
Crystal Field Parameters

scholarly journals Derivation of Lanthanide Series Crystal Field Parameters From First Principles

2019 ◽  
Vol 25 (66) ◽  
pp. 15112-15122 ◽  
Author(s):  
Julie Jung ◽  
M. Ashraful Islam ◽  
Vincent L. Pecoraro ◽  
Talal Mallah ◽  
Claude Berthon ◽  
...  
Keyword(s):  
Crystal Field ◽  
First Principles ◽  
Lanthanide Series ◽  
Crystal Field Parameters

scholarly journals Crystallographic structure and crystal field parameters in the [AnIV(DPA)3]2− series, An = Th, U, Np, Pu

2020 ◽  
Vol 22 (25) ◽  
pp. 14293-14308
Author(s):  
Matthieu Autillo ◽  
Md. Ashraful Islam ◽  
Julie Jung ◽  
Julien Pilmé ◽  
Nicolas Galland ◽  
...  
Keyword(s):  
Crystal Field ◽  
Vibrational Spectroscopy ◽  
First Principles ◽  
Crystallographic Structure ◽  
First Principles Calculations ◽  
Crystal Field Parameters

The [AnIV(DPA)3]2− series with An = Th, U, Np, Pu has been synthesized and characterized using SC-XRD, vibrational spectroscopy, and first principles calculations.

FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

1981 ◽  
Vol 42 (C6) ◽  
pp. C6-625-C6-627 ◽  
Author(s):  
P. E. Van Camp ◽  
V. E. Van Doren ◽  
J. T. Devreese
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Phonon Spectra

An Intuitive Method for the Determination of Crystal-Field Parameters in Laser Crystals

1993 ◽  
Vol 329 ◽  
Author(s):  
Frederick G. Anderson ◽  
H. Weidner ◽  
P. L. Summers ◽  
R. E. Peale ◽  
B. H. T. Chai
Keyword(s):  
Crystal Field ◽  
Irreducible Representations ◽  
Laser Crystals ◽  
Intuitive Method ◽  
Crystal Field Parameters ◽  
Intuitive Interpretation

AbstractExpanding the crystal field in terms of operators that transform as the irreducible representations of the Td group leads to an intuitive interpretation of the crystal-field parameters. We apply this method to the crystal field experienced by Nd3+ dopants in the laser crystals YLiF4, YVO4, and KLiYF5.

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