PPT Slide

- Surfaces of Fe3C -

(100)
rsurfC-Fe = 2.01 Å
rsurfFe-Fe = 2.68 Å

(001)
rsurfC-Fe: 2.01 Å

(001) relaxed
rsurfC-Fe = 1.88 Å

(100) relaxed
rsurf C-Fe = 1.96 Å
rsurfFe-Fe = 2.61 Å

Relaxations into the surfaces:

Relaxed Esurf ; DEsurf (J/m2)*

• (001) 2.1 ; 0.3

• (110) 2.2 ; 0.2

• (011) 2.5 ; 0.1

• (100) 2.5 ; 0.2

*estimated

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