The effects of Fe substrate orientations on Cu55 cluster deposition with different incident energies

• Published in: Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms Vol. 496; pp. 52 - 60
• Main Authors: He, Yiwen, Zhang, Shixu, He, Luanxuan, Wang, Xuejian, Zheng, Zhijun, Liu, Huiwei, Li, Gongping, Zhang, Hongfei
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.06.2021
• Subjects: Crystal orientation; Cu55 cluster; Deposition; Fe substrates; Molecular dynamics simulation; Cu55 cluster; Fe substrates; Molecular dynamics simulation; Crystal orientation; Deposition
• ISSN: 0168-583X; 1872-9584
• DOI: 10.1016/j.nimb.2021.03.015

•The deposition of Cu55 cluster on Fe(001), Fe(011) and Fe(111) substrates was simulated by molecular dynamics.•The differences of morphologies of Cu55 cluster on the substrates are highlighted.•The morphologies of Cu55 cluster on three oriented substrates are summarized.•The reasons for the difference of the cluster morphologies are analyzed.•The cluster have higher structure and lower spreading index on Fe(011) substrate. The deposition of Cu55 cluster with incident energies ranging from 0.1 to 10.0 eV/atom on Fe(001), Fe(011) and Fe(111) substrates was investigated by molecular dynamics simulation at 300 K. The mechanism of the substrate crystal orientations on the cluster deposition with different incident energies was studied by snapshot and some statistics values of the cluster. The simulation results show that Fe substrate crystal orientations have a significant influence on cluster deposition, and this influence mechanism is different with the change of the cluster incident energy. The arrangement of surface atoms of the substrates and the distribution of high atomic density regions in the three oriented Fe substrates are the main reason for the difference in cluster deposition. Cu55 cluster deposition on the Fe(011) substrate has a higher structure, lower spreading index in the XY plane, and higher interaction potential energy between cluster and substrate subsystems than the cluster with the same incident energy deposition on the other oriented substrates.