Why the local-spin-density approximation fails to predict the energy bands of Gd correctly
- 15 January 1994
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 49 (3) , 1608-1611
- https://doi.org/10.1103/physrevb.49.1608
Abstract
All energy-band calculations of Gd show seven very-narrow minority-spin 4f bands just above the Fermi energy. We show that this resonance is an artifact of the local-spin-density approximation and suggest that it is the reason that all calculations have yielded electronic densities of states at the Fermi energy larger than the experimental value.Keywords
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