Journal articles
Tight-binding modelling of ferromagnetic metals and alloys
Abstract : Atomistic tight-binding based simulations are widely used to study transition metal alloys properties. However, they still require to be improved if one aims at modelling segregation and ordering phenomena in the case of magnetic materials, since they generally rely on local charge neutrality rules per site, valence orbital and element, but not per spin! We propose here a strategy to overcome this difficulty, that we illustrate in two magnetic systems of particular interest: CoPt and FeNi alloys.
Cited literature [32 references]
https://hal-amu.archives-ouvertes.fr/hal-01720305
Contributor : Hal Cinam Connect in order to contact the contributor
Submitted on : Monday, September 28, 2020 - 1:57:14 PM
Last modification on : Wednesday, November 3, 2021 - 7:29:25 AM
Long-term archiving on: : Tuesday, December 29, 2020 - 6:05:39 PM
Contributor : Hal Cinam Connect in order to contact the contributor
Submitted on : Monday, September 28, 2020 - 1:57:14 PM
Last modification on : Wednesday, November 3, 2021 - 7:29:25 AM
Long-term archiving on: : Tuesday, December 29, 2020 - 6:05:39 PM
Licence
Distributed under a Creative Commons Attribution - NonCommercial - NoDerivatives 4.0 International License