Molecular Dynamics Simulation Study Of Cu₁₃ Clusters Deposit On Fe?001?surface Formation Film

The Fe/Cu magnetic multilayer film can be utilized in various fields such as computer memory,communication equipment,and automation control systems due to its remarkable giant magnetoresistance?GMR?effect,which can make the device compact and inexpensive.At present,The GMR effect of metal magnetic multilayer films is one of the research hotspots in materials science and condensed matter physics.Studies have shown that the film structure will seriously affect the GMR effect of multilayers.However,due to the limitations of current experimental equipment and conditions,the microscopic process of film growth cannot be directly observed,which limits the understanding of the mechanism of film structure formation.The molecular dynamics simulation can reproduce the microscopic process of film growth at the atomic level,which helps to reveal the growth mechanism and the structure of the film.A large number of low energy clusters exist in most preparation techniques of Fe/Cu film,,and these clusters will have an important influence on the film structure formation.Therefore,this paper uses molecular dynamics to simulate the deposition of Cu₁₃ clusters on Fe?001?surface,and analyzes the effects of different deposition conditions on the growth mechanism and properties of the film.Based on the original molecular dynamics simulation program,a molecular dynamics simulation program for the Cu₁₃ clusters film formation on Fe?001?surface was developed.The deposition energy and substrate temperature of the film growth mode and quality were studied.the Cu₁₃ cluster deposition energy range is0.1²0.0eV/atom,and the substrate temperature is 300 K,700 K and 1000 K.The simulation results demonstrate that the growth mode of the film is mainly determined by the cluster deposition energy.With the increase of the deposition energy,the main growth modes of the film are island-like mode,Stranski-Krastanovs mode and layer-by-layer mode.Moreover,the difference in film growth mode leads to a large difference in film properties.When the energy of the cluster is low,the film is mainly island growth mode.At this time,the epitaxy of the film is poor,the surface is rough,and there are a large number of defects inside.The cluster atoms and the substrate atoms do not show a mixing phenomenon at the interface,and the bonding strength between the film and the substrate is loose.When the energy of the cluster is high,the film is mainly layer-by-layer growth mode.The epitaxy of the film is high,the surface of the film is smooth,the internal defects are small,and the cluster atoms and substrate atoms appear obvious at the interface,the film is tightly bonded to the substrate.The change of substrate temperature is not enough to change the film growth mode,However,the increase of substrate temperature will promote the thermal diffusion of surface atoms and reduce the surface bonding energy of the substrate,so that the quality of deposited films at different substrate temperatures will be different.According to the comprehensive analysis,when the cluster is deposited with the deposition energy of 10.0 eV/atom to the Fe?001?with a temperature of 300K,the surface roughness is the smallest,the number of defects are the least,and the bonding strength between the film and the substrate is the highest.Structural properties are conducive to the manifestation of giant magnetoresistance in Fe/Cu magnetic multilayers.