The document discusses whether the single-orbital Hubbard model can help explain itinerant ferromagnetism. It finds that while the model shows the fcc lattice exhibits robust ferromagnetism, which can semi-quantitatively explain properties of Ni, it does not fully account for ferromagnetism in other materials. Allowing for degeneracy of the 3d band and intraatomic exchange adds important features. There is no need to hastily explain everything with the single-orbital model alone.
The document discusses whether the single-orbital Hubbard model can help explain itinerant ferromagnetism. It finds that while the model shows the fcc lattice exhibits robust ferromagnetism, which can semi-quantitatively explain properties of Ni, it does not fully account for ferromagnetism in other materials. Allowing for degeneracy of the 3d band and intraatomic exchange adds important features. There is no need to hastily explain everything with the single-orbital model alone.
The document discusses whether the single-orbital Hubbard model can help explain itinerant ferromagnetism. It finds that while the model shows the fcc lattice exhibits robust ferromagnetism, which can semi-quantitatively explain properties of Ni, it does not fully account for ferromagnetism in other materials. Allowing for degeneracy of the 3d band and intraatomic exchange adds important features. There is no need to hastily explain everything with the single-orbital model alone.
We do not attempt to review the results on the extended one-band
Hubbard model. Let us, however, quote the large-U effective exchange coupling found in the solution to Problem 5.5 (see (5.108) on p. 254) 4(t - X ) 2 Jeff = -2F. (8.35) u-v Jeff tends to change sign as U is increased. Thus though the large Hubbard U in itself may not make the system ferromagnetic, it gives rise to a situation where even a quite weak direct exchange F is sufficient to turn the system into a ferromagnet (see [437] for a detailed study). What is the upshot of all these arguments: did the study of the single-orbital Hubbard model enable us to understand itinerant ferro- magnetism, or did it not? It is possible to take the point of view that, to some extent, it did. We may declare ourselves content with the available evidence that the fcc lattice shows robust ferromagnetism, and accept it as a semi-quantitative explanation for the properties of Ni. As for Co, its lattice has the hcp structure, and that must be just as inclined towards ferromagnetism as the fcc lattice3'. This still leaves us with the ferromagnetism of Fe to account for. Though there is a widely used definition according to which iron is a weaker ferromagnet31 than Co and Ni, and one could say that this is in agreement with the fact the bipartite bcc lattice shows only a weak tendency to ferromagnetism, we prefer to take a more balanced view. A Curie temperature Tc = 1044K does not suggest anything weak, and the value ppar/psat - 1 also shows that Fe is as far from being a weak itinerant ferromagnet as a system can be (see Table 7.1, p. 400). There is really no need to hurry and try to explain everything in terms of the single-orbital model, since allow- ing for the degeneracy of the 3d band, and the concomitant intraatomic exchange, adds further important features to our picture of itinerant ferromagnet ism. 301t would take some arguing to show this. With nearest-neighbour hopping, the fcc and hcp lattices have exactly the same DOS, though the band structures are different. It is only at the SKA level, that a band is sufficiently characterized by its DOS; more complicated states are sensitive to the details of the band structure. Furthermore, it turned out that the relevant fcc model is a t 1 - h model, and the corresponding generalized hcp models have not been studied yet. 311nthe sense that its T = 0 magnetization is decidedly smaller than the saturation value allowed by the band filling.