Structure peculiarities of cementite and their influence on the magnetic characteristics

Abstract

The iron carbide $F{e}_{3}C$ is studied by the first-principle density functional theory. It is shown that the crystal structure with the carbon disposition in a prismatic environment has the lowest total energy and the highest energy of magnetic anisotropy as compared to the structure with carbon in an octahedron environment. This fact explains the behavior of the coercive force upon annealing of the plastically deformed samples. The appearance of carbon atoms in the octahedron environment can be revealed by Mossbauer experiment.

arXiv comment10 pages, 3 figures, 3 tables. submitted to Phys.Rev. B

References in corpus (1)

• The nuclear quadrupole moment of 57Fe from microscopic nuclear and atomic calculations

Cited by in corpus (2)

• Structural peculiarities of plastically-deformed cementite and their influence on magnetic characteristics and Mossbauer parameters
• Alloyed cementite (Fe-Ni-Cr)${}_3$C: structure and hyperfine field from DFT calculations and experimental comparison