Magnetism and local distortions near carbon impurity in $γ$-iron

Details Magnetism and local distortions near carbon impurity in $γ$-iron Magnetism and local distortions near carbon impurity in $γ$-iron

2007-06-25

arxiv.org/abs/0706.3695v2

Phys. Rev. Lett. 99, 247205 (2007)

Physics

Condensed Matter

Materials Science

4 pages 3 figures. Final version, accepted to Phys.Rev. Lett

Scientific paper

10.1103/PhysRevLett.99.247205

Local perturbations of crystal and magnetic structure of $\gamma$-iron near carbon interstitial impurity is investigated by {\it ab initio} electronic structure calculations. It is shown that the carbon impurity creates locally a region of ferromagnetic ordering with substantial tetragonal distortions. Exchange integrals and solution enthalpy are calculated, the latter being in a very good agreement with experimental data. Effect of the local distortions on the carbon-carbon interactions in $\gamma$-iron is discussed.

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