Scientific article

Local Environment Effects and Energy Properties of bcc Fe-based Alloys

Published inPhysica scripta, vol. T57, p. 88-93
Publication date1995

The effects of short-range order for bcc-based Fe-V, Fe-Cr and Fe-Co alloys have been investigated by supercell calculations and approximate self-consistent Linear Muffin Tin Orbital for substitutional disorder. This has allowed us to study the stability and electronic energy properties of ordered superlattices and of random solutions. We analyse the influence of local environment effects on the equilibrium and magnetic properties of the respective alloys. Total energy results show that short range order is important for Fe-Cr and Fe-V so that certain configurations are prefered, while in the Fe-Co system the total energies of several configurations are very close. It also implies that the density-of-states of the FeCo system can be described by the method for substitutional alloys. On the other hand differences in the short range order of FeV or FeCr, have large effects on density-of-states and magnetic order.

Citation (ISO format)
MORONI, E.G., JARLBORG, Thomas N. Local Environment Effects and Energy Properties of bcc Fe-based Alloys. In: Physica scripta, 1995, vol. T57, p. 88–93. doi: 10.1088/0031-8949/1995/T57/014
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Article (Published version)
ISSN of the journal0031-8949

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