Table 8.
Activation energies E a for forward and backward dimer and trimer self‐diffusion processes on Mg(10 1) calculated with Equation (2) (PBE).
Diffusion on Mg(10 1) |
Path |
Pathway |
E a for [eV] |
E a rev [eV] |
---|---|---|---|---|
dimer |
merge |
d0↔d1 |
0.25 |
0.58 |
d2↔d3 |
0.19 |
0.13 |
||
d3↔d1 |
0.15 |
0.51 |
||
d4↔d1 |
0.37 |
0.67 |
||
concerted |
cd0↔cd1 |
0.54 |
0.54 |
|
trimer |
merge |
t0↔t1 |
0.26 |
0.58 |
t2↔t3 |
0.19 |
0.20 |
||
t3↔t1 |
0.27 |
0.54 |
||
t4↔t5 |
0.31 |
0.57 |
||
t5↔t1 |
0.24 |
0.28 |