Akademik Veri Yönetim Sistemi
Journal of Optoelectronics and Advanced Materials, cilt.13, sa.11-12, ss.1542-1547, 2011 (SCI-Expanded, Scopus)
It is known that the stable crystal structure of ZnSe nanowires depends on the nanowire diameter. For this reason, we have focused on the impact of size of ZnSe nanowires on their structural properties. The molecular dynamics (MD) simulations have performed to especially discuss consequences for size effect on melting process for ZnSe nanostructures with cylindrical shape. The interactions between the atoms in system have defined by an empirical model potential developed for semiconductor metal-chalcogenides. The nanowires studied in this work have a different number of diameters and have generated by assembling the zincblende unit cell. Periodic boundary conditions have applied only along c- axis. The size effect on melting of nanowires has investigated. Some structural and dynamic properties such as distribution functions, mean square displacements and diffusion coefficients have also calculated to get detailed information about the nature of melting process of ZnSe nanowires. Calculations show that melting temperatures of ZnSe nanowires are lower than that of bulk and highly related with the size of the nanowires.