Table 2 Calculated buckling of silicene (Δ), equilibrium separation of silicene from alkali metal atoms (d1) and alkali metal atoms from various metal surfaces (d2). Na, K and Rb atom intercalations are considered in the case of Ir(111) and only intercalation of K atoms is considered for the other metal surfaces. The binding energy Eb' is the energy (per Si atom) required to remove the silicene sheet from the alkali metal atom-adsorbed metal surface. The intercalation energy Ei is the energy (per Si atom) required to insert alkali metal atoms between epitaxial silicene and metal substrates. The Fermi level shift ΔEf is defined as ΔEf = ED − Ef
From: Does the Dirac Cone Exist in Silicene on Metal Substrates?
Ir | |||||||||
|---|---|---|---|---|---|---|---|---|---|
(Na) | (K) | (Rb) | Mg | Cu | Ag | Pt | Al | Au | |
Δ (Å) | 0.46 | 0.37 | 0.32 | 0.54 | 0.61 | 0.50 | 0 | 0 | 0 |
d1 (Å) | 2.55 | 2.93 | 2.96 | 2.62 | 2.81 | 2.68 | 3.05 | 2.88 | 2.80 |
d2 (Å) | 2.51 | 2.89 | 3.04 | 3.17 | 2.68 | 2.93 | 2.77 | 3.05 | 2.76 |
Eb' (eV) | 0.56 | 0.70 | 0.72 | 0.82 | 0.85 | 0.86 | 0.81 | 0.42 | 0.39 |
Ei (eV) | 2.92 | 3.31 | 3.37 | 3.05 | 4.55 | 4.03 | 3.19 | 4.14 | 3.30 |
ΔEf (eV) | −0.60 | −0.62 | −0.60 | −0.78 | −0.52 | −0.75 | −0.50 | −0.50 | −0.40 |
