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Calculated (PBE and BEEF‐vdW) and literature area fractions of the magnesium surface Mg(0001), Mg(10 0)A, and Mg(10 1) from the calculated Wulff construction shown in Figure 1.
|
Functional |
Area fraction [%] |
Ref. |
||
|---|---|---|---|---|
|
|
Mg(0001) |
Mg(10 0)A |
Mg(10 1) |
|
|
PBE |
23.7 |
27.9 |
48.6 |
this work |
|
BEEF‐vdW |
22.4 |
25.8 |
50.5 |
this work |
|
PBE |
22.5 |
27.2 |
49.5 |
[30] |
|
PBE |
25.0 |
33.0 |
42.0 |
[31] |
