Table 1 The binding energy (Eb) between the epilayer stanene and Ag(111) surface, which is calculated by using 
, where Et, Esub and ESn are the total energy of stanene/Ag(111) system, the energy of 
supercell of Ag(111) surface and the energy of 
supercell of stanene, respectively.
, where Et, Esub and ESn are the total energy of stanene/Ag(111) system, the energy of 
supercell of Ag(111) surface and the energy of 
supercell of stanene, respectively.From: Exploring Ag(111) Substrate for Epitaxially Growing Monolayer Stanene: A First-Principles Study
S1 | S2 | S3 | S4 | |
|---|---|---|---|---|
Eb (eVÅ−2) | −0.057 | −0.057 | −0.059 | −0.058 |
| 2.408 | 2.411 | 2.484 | 2.444 |
(Å)- The minus sign of Eb indicates that it is energetically favorable to have stanene absorbed on the Ag (111) surface. The average distance of the bottom stanene atoms to the Ag(111) surface is calculated by using
, where N1 and N2 are the number of bottom stanene atoms (black balls in Fig. 1) and Ag atoms in the first layer of Ag(111) and ZSn and ZAg are the heights of Sn and Ag atoms, respectively.
, where N1 and N2 are the number of bottom stanene atoms (black balls in 