Open AccessDeposition process of MgO thin film on MgO（001） surface simulated by molecular dynamics
Author(s) -
刘美林,
张宗宁,
李蔚,
赵骞,
祁阳,
张林
Publication year - 2009
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.199
Subject(s) - materials science , thermal diffusivity , substrate (aquarium) , molecular dynamics , deposition (geology) , molecule , surface energy , chemical physics , thin film , chemical engineering , nanotechnology , composite material , thermodynamics , computational chemistry , chemistry , organic chemistry , paleontology , oceanography , physics , sediment , biology , engineering , geology
Molecular dynamics is used to simulate the deposition process of MgO molecules on MgO001 surfaceand substrate temperature and molecular incident energy are discussed in terms of their effects on the diffusivity of MgO molecules and the substrate surface coverage ratio. The simulated results show that with the substrate temperature increasing vacant sites in MgO film decrease, owing to the increase in diffusivity of the deposited molecules on the substrate. At low temperatures the substrate surface coverage ratio increases with molecular incident energy increasing. At high temperatures the surface coverage ratio reaches the maximum at an incident energy of 3.0 eV and then it decreases with the increase of incident energy.