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Non-Collinear Instability of Ferromagnetic Mn5Ge3 compound

Alessandro Stroppa 1Maria Peressi 

1. Università di Trieste, Trieste, Italy

Abstract

Mn5Ge3 thin films epitaxially grown on Ge(111) exhibit metallic conductivity and strong ferromagnetism up to about 300 K. Recent experiments suggest a non-collinear spin structure. In order to gain deep insights into the magnetic structure of this compound, we have performed fully unconstrained ab-initio pseudopotential calculations within Density Functional Theory, investigating the different magnetic states corresponding to Collinear (C) and Non-Collinear (NC) spin configurations. We focus on their relative stability under pressure and strain field. Under pressure, the C and NC configurations are degenerate, suggesting the possible occurence of accidental magnetic degeneracy also in Mn5Ge3 real samples. We found a continuos transition from a ferromagnetic C low-spin state at small volums to a NC high-spin state at higher volumes. Remarkably, the degeneracy is definitely removed under the effect of uniaxial strain: in particular, NC spin configuration is favoured under tensile uniaxial strain.

 

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Related papers

Presentation: Oral at E-MRS Fall Meeting 2006, Symposium E, by Alessandro Stroppa
See On-line Journal of E-MRS Fall Meeting 2006

Submitted: 2006-05-26 09:30
Revised:   2009-06-07 00:44