Adatom dynamics and diffusion in a model of O/W(110)

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en Vattulainen, I. Merikoski, J. Ala-Nissilä, T. Ying, S.C. 2017-06-20T11:27:25Z 2017-06-20T11:27:25Z 1998
dc.identifier.citation Vattulainen , I , Merikoski , J , Ala-Nissilä , T & Ying , S C 1998 , ' Adatom dynamics and diffusion in a model of O/W(110) ' Physical Review B , vol 57 , no. 3 , pp. 1896-1907 . DOI: 10.1103/PhysRevB.57.1896 en
dc.identifier.issn 1550-235X
dc.identifier.other PURE UUID: b75f3043-cb35-4978-af36-55bc9ec71e44
dc.identifier.other PURE ITEMURL:
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dc.description.abstract We consider adatom dynamics and diffusion in a lattice-gas model of the O/W(110) system under conditions where the adatom interaction effects are important. In particular, we study the behavior of the tracer and collective diffusion coefficients as a function of temperature when crossing over from the high-temperature disordered phase to a low-temperature symmetry broken phase. To this end, we utilize a combined analytical and numerical approach based on the recently developed dynamical mean field theory (DMF) in addition to conventional Monte Carlo simulations. In the case studied here, the origin of the strong temperature dependence of the effective activation barrier EDA close to an order-disorder transition, i.e., the non-Arrhenius behavior of the diffusion coefficients, can be traced back to that of the average microscopic jump rate Γ appearing within the DMF. This is in contrast to the usual assumption that thermodynamics controls diffusion near phase transitions. The behavior of Γ, in turn, is found toarise predominantly from critical effects in the short-time behavior of the waiting-time distribution of single-particle jumps, W(t), which is an experimentally accessible quantity. The long-time decay of W(t) is then used to define another effective barrier EWA, which shows no anomalous effects near the transition. en
dc.format.extent 1896-1907
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries Physical Review B en
dc.relation.ispartofseries Volume 57, issue 3 en
dc.rights openAccess en
dc.title Adatom dynamics and diffusion in a model of O/W(110) en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department Department of Applied Physics en
dc.identifier.urn URN:NBN:fi:aalto-201706205710
dc.identifier.doi 10.1103/PhysRevB.57.1896
dc.type.version publishedVersion

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