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 |
[meV Å−2] |
|||
---|---|---|---|---|
|
this work |
other work |
||
|
PBE |
BEEF‐vdW |
experiment [38] |
|
Mg(0001) |
33.9 |
38.7 (9) |
51.0 |
|
Mg(10 0)A |
40.3 |
44.9 (9) |
|
|
Mg(10 1) |
40.9 |
45.8 (8) |
|
|
Mg(10 0)B |
55.5 |
59.4 (11) |