Molecular dynamics studies of thin film growth by ionized cluster beam deposition

• Published in: Computational materials science 1999-02, Vol.14 (1), p.241-247
• Main Authors: Yorizane, Kazumasa, Yamamura, Yasunori
• Format: Article
• Language: English
• Subjects: Cross-disciplinary physics: materials science; rheology; Exact sciences and technology; Materials science; Methods of deposition of films and coatings; film growth and epitaxy; Molecular, atomic, ion, and chemical beam epitaxy; Physics
• ISSN: 0927-0256; 1879-0801
• DOI: 10.1016/S0927-0256(98)00114-1

The mechanism of thin-film growth by ionized cluster beam deposition (ICBD) has been investigated, using molecular dynamics (MD) simulations with the hybrid interatomic potentials which have been developed by combining the embedded-atom-method (EAM) potentials with the screened Coulomb average modified Lenz–Jensen (AMLJ) potential. In order to clarify the conversion mechanism of cluster energy into surface migration energy in ICBD, we have investigated the cluster impact phenomena for Cu 201 impact on Cu (1 1 1) and Pt (1 1 1) with a cluster energy of 5 eV/atom. For a Cu 201 impact on a Pt (1 1 1), a half of cluster atoms migrated on the substrate surface with relatively high migration energies. On the other hand, for a Cu 201 impact on a Cu (1 1 1), most of the cluster atoms are embedded into the substrate, and a small amount of them migrate with small migration energies. In the conversion mechanism of cluster energy into surface migration energy in ICBD, the most important point is whether the high-density zone is formed in the central part of the cluster, above or below the surface.