Effects of Axis direction Extension on Structures and Stabilities of Ni Nanowires

Key words: 
• Ni nanowire /
• generalized simulated annealing /
• SuttonChen potential

Abstract: Atomic structures and stabilities of Ni nanowires are studied by using the generalized simulated annealing method with SuttonChen potential. The initial structure is facecentered cubic [111] structure. The result shows that the length of the supercell strongly affects the structures and stabilities of Ni nanowires. fcc [111] structure， (6， 0)， (6， 3) nanowires， fcc[110]， transition structure and defect structure are found for different wire lengths. And from the analyses of the binding energy， it is found that (6， 0) nanowires (helical structure) is the most stable form.