Elasticity and anisotropy of Fe3C at high pressures Journal Article uri icon

DCO ID 11121/3072-1014-8652-7974-CC

in language

  • eng

year of publication

  • 2011


  • {Using static electronic structure calculations, we determine the equation of state, the full elastic constant tensor and the sound wave velocities of cementite (Fe3C) at pressures up to 410 GPa. Fe3C is ferromagnetic (fm) at ambient pressures. Upon compression, the magnetic moment of the Fe atoms are gradually lost and, at around similar to 62 GPa, Fe3C becomes non-magnetic (nm). We find that the pressure-volume results for the Fe3C (fm) phase are well represented by a Vinet equation of state with K-0(fm) = 183 GPa


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