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. 2022 May 18;15(14):e202200414. doi: 10.1002/cssc.202200414

Table 1.

Surface energies γ for selected magnesium surfaces calculated with Equation (1) and from literature. For the BEEF‐vdW functional, the calculated standard deviations of the surface energies are given in parenthesis.

Surface

γ [meV Å−2]

this work

other work

PBE

BEEF‐vdW

experiment [38]

Mg(0001)

33.9

38.7 (9)

51.0

Mg(101- 0)A

40.3

44.9 (9)

Mg(101- 1)

40.9

45.8 (8)

Mg(101- 0)B

55.5

59.4 (11)