Počet záznamů: 1  

Multiscale modeling of submonolayer growth for Fe/Mo(110)

  1. 1. 0399250 - FZU-D 2014 RIV DE eng J - Článek v odborném periodiku
    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
    Grant CEP: GA ČR GA202/09/0775
    Institucionální podpora: RVO:68378271
    Klíčová slova: Monte Carlo simulations * kinetic rate equations * total energy calculations * epitaxial growth * cluster diffusion * island growth
    Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
    Impakt faktor: 1.463, rok: 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.
    Trvalý link: http://hdl.handle.net/11104/0226583