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Calculation of paramagnetic susceptibilities and specific heats by density-functional– crystal-field theory: PrPdX and NdPdX(X=Al, Ga)

Physical Review B - Condensed Matter and Materials Physics, ISSN: 1550-235X, Vol: 60, Issue: 11, Page: 7981-7992
1999
  • 18
    Citations
  • 0
    Usage
  • 4
    Captures
  • 0
    Mentions
  • 0
    Social Media
Metric Options:   Counts1 Year3 Year

Metrics Details

  • Citations
    18
    • Citation Indexes
      18
  • Captures
    4

Article Description

A variant of the self-interaction corrected local spin-density approximation has been implemented and applied to compute the crystal field parameters for PrPdX and NdPdX(X=Al, Ga). The parameters were in turn used to calculate the crystal field states and levels, as well as the susceptibilities and specific heats of these compounds. Good agreement with available experimental data is found, at variance with results on the isostructural compound UPdAl reported earlier. The anisotropic susceptibility is predicted for three of the considered compounds. © 1999 The American Physical Society.

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