摘要

The energies of the (001)Cu/(111)Ni, (011)Cu/(111)Ni, and (111)Cu/(111)Ni twist boundaries have been calculated with MAEAM. The results show that the interface energies corresponding to (111)Cu/(111)Ni, (001)Cu/(111)Ni, and (011)Cu/(111)Ni increase successively and the lowest energy corresponding to twist angle theta = 16.10, 2,33, and 24.07 degrees for (111)Cu/(111)Ni, (001)Cu/(111)Ni, and (011)Cu/(111)Ni is 552.7, 761.9, and 1412.7 mJ/m(2), respectively, Considering minimization of interface energy, we can conclude that the Cu films deposited on (111)Ni substrate are preferred in a (111) orientation, especially at twist angle theta = 16.10 degrees.