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Multiscale modeling of submonolayer growth for Fe/Mo(110)
- 1.0399250 - FZÚ 2014 RIV DE eng J - Journal Article
Mašín, Martin - Kotrla, Miroslav - Yang, B. - Asta, M. - Jahma, M.O. - Ala-Nissila, T.
Multiscale modeling of submonolayer growth for Fe/Mo(110).
European Physical Journal B. Roč. 86, č. 8 (2013), s. 359-365. ISSN 1434-6028. E-ISSN 1434-6036
R&D Projects: GA ČR GA202/09/0775
Institutional support: RVO:68378271
Keywords : Monte Carlo simulations * kinetic rate equations * total energy calculations * epitaxial growth * cluster diffusion * island growth
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 1.463, year: 2013
We use a multiscale approach to study a lattice-gas model of submonolayer growth of Fe/Mo(110) by Molecular Beam Epitaxy. Model is based on our first-principles calculations of the diffusion barrier and adatom interactions. The model is investigated by equilibrium Monte Carlo simulations to compute the diffusion coefficients of Fe islands. Coefficients are then used as input to the coarse-grained kinetic rate equation (KRE) approach. We also developed feasible atomistic kinetic Monte Carlo (KMC) model. We calculate time evolution of the island size distributions by both KMC and KRE methods and find good agreement between the two methods.
Permanent Link: http://hdl.handle.net/11104/0226583
Number of the records: 1