Crystal field of rare earth impurities in LaF$_3$

J. Kune\v{s}; K. Kn\'i\v{z}ek; P. Nov\'ak

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Crystal field of rare earth impurities in LaF$_3$

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arxiv 1407.7669 v1 pith:BCOT54MQ submitted 2014-07-29 cond-mat.str-el

P. Novák , J. Kuneš , K. Knížek This is my paper · ORCID

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keywords atomiccrystalcrystal-fieldfieldparametersagreementavailableband

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abstract

The crystal field parameters of 13 trivalent lanthanide ions substituted for La in LaF$_3$ were calculated using the combination of the band structure and Wannier function calculations. Performing an atomic exact diagonalization with thus obtained crystal-field parameters we compute the crystal-field splitting of atomic multiplets. The calculation is compared with the available experimental results and a good agreement is found.

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