- Surfaces of Fe3C -

• Investigate the relative stability of low-index surfaces of Fe3C, cementite.

• Narrowed search to four surfaces: stoichiometric, high density, and minimal dangling bonds from the cut

• (100), (001), (110), (011)

Results: unrelaxed surfaces

Esurf (J/m2):

• (110) 2.37

• (001) 2.40

• (011) 2.56

• (100) 2.72

Esurf = (Eslab - N*Ebulk) / 2A

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