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The electronic structure of europium chalcogenides and pnictides
Journal of Physics: Condensed Matter
The electronic structure of some europium chalcogenides and pnictides is calculated using the ab-initio self-interaction corrected local-spin-density approximation (SIC-LSD). This approach allows both a localised description of the rare earth f-electrons and an itinerant description of s, p and d-electrons. Localising different numbers of f-electrons on the rare earth atom corresponds to different nominal valencies, and the total energies can be compared, providing a first-principlesdoi:10.1088/0953-8984/16/28/024 fatcat:felty6v6vvenzbgfrxzvbhdihi