Abstract
Abstract A new method for calculations of crystal field (CF) interaction in alloys containing rare earths (4f electron CF) has been developed. The method is based on density-functional theory (DFT) and uses the full-potential local-orbitals (FPLO) method combined with the coherent-potential approximation (CPA). The method is successfully applied to calculate the CF interaction in RENi 4 Al alloys.
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