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arXiv · 1201.5808

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

Andrei Reyes-Huamantinco·Peter Puschnig·Claudia Ambrosch-Draxl·Oleg E. Peil·Andrei V. Ruban
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Abstract

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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Andrei Reyes-Huamantinco, Peter Puschnig, Claudia Ambrosch-Draxl, Oleg E. Peil, Andrei V. Ruban. 2012-01-27. Stacking-Fault Energy and Anti-Invar Effect in FeMn Alloys. https://doi.org/10.1103/physrevb.86.060201

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