Physics – Condensed Matter – Materials Science
Scientific paper
2006-08-07
Materials Science in Semiconductor Processing Volume 9, Issues 4-5, August-October 2006, Pages 841-847 Proceedings of Symposiu
Physics
Condensed Matter
Materials Science
13 pages,2 Tables, 5 figures, Revised Version, Materials Science in Semiconductor Processing (in press)
Scientific paper
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 occurrence of accidental magnetic degeneracy also in Mn5Ge3 real samples. We found a continuous transition from a ferromagnetic C low-spin state at small volumes 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 configurations is favoured under tensile uniaxial strain.
Peressi Maria
Stroppa Alessandro
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