Molecular-dynamics simulation of the growth of strained-layer lattices

Journal Article · Wed Jul 15 04:00:00 EDT 1987 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.36.1355· OSTI ID:5932002

Taylor, P A; Dodson, B W

Simulation of strained-layer growth of two-dimensional Lennard-Jones crystal lattices has been performed using molecular dynamics. In particular, we have studied the influences of lattice mismatch and substrate temperature on the growth, from the vapor phase, of overlayer material possessing a different bulk lattice constant than that of the substrate material. Simulation results predict that at substrate temperatures less than 50% of melting, epitaxial growth occurs for mismatch values less than 4%, whereas above this value, defective growth is observed. At temperatures above 50% of the melt temperature, mass transport occurs across the layer interface and rapid diffusion is observed in the topmost atomic layers, resulting in liquidlike behavior in a thin layer over ordered crystal.

• Research Organization: Sandia National Laboratories, Albuquerque, New Mexico 87185
• OSTI ID: 5932002
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 36:2; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

656002* -- Condensed Matter Physics-- General Techniques in Condensed Matter-- (1987-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIFFUSION
EPITAXY
GROWTH
INTERFACES
LAYERS
LENNARD-JONES POTENTIAL
MASS TRANSFER
POTENTIALS
SIMULATION
STRAINS
SUBSTRATES
TEMPERATURE DEPENDENCE