摘要
The energies in three combinations of Ag(001)/Si(111), Ag(011)/Si(111) and Ag(111)/Si(111) twist boundaries have been calculated using the modified embedded atom method (MEAM). The results show that the interface energies corresponding to Ag(111)/Si(111), Ag(001)/Si(111) and Ag(011)/Si(111) increase successively and the lowest energies 365, 717.7 and 996.1 mJ m(-2) corresponding to each interface appear at twist angles 0 of 30, 0 and 25.24 degrees, respectively. Considering minimization of interface energy, we can conclude that the Ag films deposited on Si(111) substrate will result in a (111) preferred orientation, especially at a twist angle of theta = 30 degrees.