Stacking-Fault Energy and Anti-Invar Effect in FeMn Alloys

Details Stacking-Fault Energy and Anti-Invar Effect in FeMn Alloys Stacking-Fault Energy and Anti-Invar Effect in FeMn Alloys

2012-01-27

arxiv.org/abs/1201.5808v1

Physics

Condensed Matter

Materials Science

5 pages, 3 figures

Scientific paper

Based on state-of-the-art density-functional-theory methods we calculate the stacking-fault energy of the paramagnetic random Fe-22.5at.%Mn alloy between 300-800 K. We estimate magnetic thermal excitations by considering longitudinal spin-fluctuations. Our results demonstrate that the interplay between the magnetic excitations and the thermal lattice expansion is the main factor determining the anti-Invar effect, the hcp-fcc transformation temperature, and the stacking-fault energy, which is in excellent agreement with measurements.

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