We show, by carefully examining the change of total energy in constrained variational calculations using the local spin density approximation, that crystal field excitations in normal rare earths are quasiparticles composed of a 4f excitation plus its associated cloud of shielding conduction electrons. total energy calculations, which properly exclude the self-interaction of the nonspherical part of the 4f densities, are then used to calculate crystal field energies and the corresponding spin Hamiltonian parameters of TmSb and PrSb, accurately from first principles.
ERIKSSON O.;
WILLS J.M.;
JOHANSSON B.;
1997-11-19
JRC15213
https://publications.jrc.ec.europa.eu/repository/handle/JRC15213,
This document is only visible at the Commission level.
You are not authorized to publish or distribute it outside the European Commission.
This is a public document. You can share this publication.
Additional supporting files
| File name | Description | File type | |
|---|
