Molecular Dynamic Simulation Model for the Growth of Thin Films in The Structure Zone Model

Savaloni, H. and Afzali, S.M. and Gholipour Shahraki, M. (2007) Molecular Dynamic Simulation Model for the Growth of Thin Films in The Structure Zone Model. Journal of Sciences Islamic Azad University) JSIAU (17), 63.


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A two dimensional molecular dynamic (atomistic) simulation model was used to investigate the relationship between the nano-structure and the deposition parameters; namely, substrate temperature, deposition rate, angle of incidence, surface roughness. Qualitative agreements with the predictions of the structure zone model (SZM) and the theoretical results of Srolovitze and coworkers (1988), as well as expectations through changes in the activated processes during film growth due to changes in deposition parameters (Grovenor and coworkers (1984)) are obtained. It is shown that by enhancing the atomic mobility (i.e., increasing the substrate temperature or/and lowering the deposition rate) films of higher density with fewer voids are produced. By increasing the deposition angle, the nano-structure of the film changes from a dense film with few voids, to a nano-structure with columns/boundless inclined with the same angle ( β ) towards the incidence atoms with elongated voids. The angle β increases with increasing the deposition angle (α ), and in agreement with the tangent rule (Dirks and Leamy (1977)). The angle of bundles (or the angle of the formation of the voids between atomic bundles), and columnar structure are caused by shadowing effects. Results showed that β decreases slowly with increasing surface mobility (i.e., increasing the substrate temperature or/and reducing the deposition rate). In general, the model provides almost all predicted results and agrees well with observations

Item Type: Article
Uncontrolled Keywords: Keywords: Molecular Dynamic; Structure Zone Model; substrate temperature; deposition rate; angle of incidence.
Subjects: QT physiology >
Divisions: Faculty of Nursing and Midwifery
Depositing User: Users 1 not found.
Date Deposited: 23 Sep 2017 04:26
Last Modified: 23 Sep 2017 04:26

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