Gradient-corrected density-functional studies of
- 1 October 1991
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 44 (14) , 7715-7717
- https://doi.org/10.1103/physrevb.44.7715
Abstract
A search for an antiferromagnetic ground state in , using gradient-corrected local-spin-density functionals, is reported. It is found that, as with the local-spin-density approximation, a paramagnetic metallic ground state is predicted, in disagreement with experiment. The gradient corrections do, however, bring this material closer to an antiferromagnetic instability.
Keywords
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