Calculation of transition-metal band structures
- 14 May 1969
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 2 (5), 833-840
- https://doi.org/10.1088/0022-3719/2/5/308
Abstract
A simple and convenient method for calculating the energy bands of transition metals has been developed, based on previous work by Hubbard and by Jacobs. The results obtained for iron are compared with (i) a similar computation by Dalton and Hubbard and (ii) the augmented plane wave calculations of Wood.Keywords
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