Band structures of non-collinear magnets in gamma -Mn and gamma -Fe
- 4 November 1991
- journal article
- research article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 3 (44) , 8665-8682
- https://doi.org/10.1088/0953-8984/3/44/012
Abstract
Local spin density functional theory is applied within the linearized muffin-tin orbital atomic sphere approximation (LMTO ASA) method to calculate the electronic structures of non-collinear antiferromagnets in FCC manganese and iron. Direct application of the theory leads to a Hamiltonian which is doubly degenerate for every band at every k-point. An irreducible representation is found which overcomes this problem. The total energies of single, double and triple spin density wave structures are found to be essentially indistinguishable within the limits of the calculation.Keywords
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