rescaleCEF - asche1/PyCrystalField GitHub Wiki

rescaleCEF

rescaleCEF(ion1, ion2, B, n)

Scale the CEF parameters from one rare earth ion to another

Parameters

  • ion1: string, first ion of known CEF parameters ('Ce3+', 'Pr3+', 'Nd3+', 'Pm3+', 'Sm3+', 'Eu3+', 'Gd3+', 'Tb3+', 'Dy3+', 'Ho3+', 'Er3+', 'Tm3+', or 'Yb3+')
  • ion2: string, second ion to calculate the CEF parameters for.
  • B: float, a single CEF parameter for ion1.
  • n: int, Operator O degree.

Returns

  • scaled CEF parameter from Ion1 to Ion2.

WARNING:

This method should be used with caution. It is only accurate for neighbors on the periodic table (See W. T. Carnall, G. L. Goodman, K. Rajnak, and R. S. Rana, The Journal of Chemical Physics 90, 3443 (1989) https://doi.org/10.1063/1.455853), and even then it is not very accurate.