The density of states and magnetic parameters for transition metals
- 1 October 1970
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 3 (3S) , S389-S396
- https://doi.org/10.1088/0022-3719/3/3s/312
Abstract
The high resolution method for calculating Brillouin zone integrals developed by the authors has been used to calculate the density of states for a typical face centred cubic transition metal. This density of states curve shows considerable accuracy, and the van Hove singularities and the rest of the structure are clearly exhibited. The first and second derivatives of the density of states have been calculated and used to investigate several parameters of the itinerant-electron model of magnetism. The density of states and these parameters are discussed in detail for energies in the neighbourhood of the Fermi energy for 10 electrons per atom. Within the rigid band approximation it is asserted that these results demonstrate that the magnetic properties of face centred cubic transition metals with 10 electrons per atom and neighbouring alloys depend sensitively on the position of the Fermi level. These results are applied with surprising success to Pd and dilute PdRh and PdAg alloysKeywords
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