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Magnetism is a key driving force controlling several thermodynamic andkinetic properties of Fe-Cr systems. We present a newly-developed TB model forFe-Cr, where magnetism is treated beyond the usual collinear approcimation. Amajor advantage of this model consists in a rather simple fitting procedure. Inparticular, no specific properties of the binary system is explicitly requiredin the fitting database. The present model is proved to be accurate and highlytransfer-able for electronic, magnetic and energetic properties of a largevariety of structural and chemical environments: surfaces, interfaces, embeddedclusters, and the whole compositional range of the binary alloy. The occurenceof non-collinear magnetic configurations caused by magnetic frustrations issuccessfully predicted. The present TB approach can apply for other binarymagnetic transition-metal alloys. It is expected to be particularly promissingif the size difference between the alloying elements is rather small and theelectronic properties prevail.

Interplay between magnetism and energetics in FeCr alloys from a predictive non-collinear magnetic tight-binding model