Table 2
Interface mean bond energy ⟨EIS⟩, mean lattice constant ⟨dIS⟩, energy density EID, and the free energy ΓI. Eb and db are the bond energy and bond length of the constituent bulk reference, respectively. EI(A–A or B–B) is the bond energy of A or B in the interface; EI(A–B) is the A–B exchange interaction energy [10, 19, 32, 34] (length in nm and energy in eV unit unless indicated).
| Interface | Atom | db (Å) [35] | Eb (eV) [35] | EI (A–A) (eV) | EI (A–B) (eV) | ⟨EIS⟩ (eV) | ⟨dIS⟩ (Å) | EIC (eV/atom) | EID (eV/Å3) | ΓI (eV/Å2) |
|---|---|---|---|---|---|---|---|---|---|---|
| Si/C (z = 4) | C | 0.671 | 1.38 | 0.15 | 0.29 | 0.423 | 0.607 | 0.846 | 3.79 | 2.30 |
| Si | 0.543 | 0.39 | 0.55 | |||||||
| Cu/Sn (12) | Cu | 0.360 | 0.29 | 0.48 | 0.38 | 0.485 | 0.472 | 2.91 | 27.77 | 13.06 |
| Sn | 0.583 | 0.26 | 0.30 | |||||||
| Be/W (z = 8) | Be | 0.229 | 0.28 | 0.24 | 0.38 | 0.515 | 0.273 | 2.06 | 101.25 | 27.64 |
| W | 0.316 | 0.74 | 0.60 |
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