Elasticity model for the evaluation of structural parameters in multilayer systems with applications to transition metal and Si-based multilayers
2011 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 84, no 12, 125424- p.Article in journal (Refereed) Published
In this paper we present and evaluate a model based on elasticity theory for the calculation of in- and out-of-plane lattice parameters in multilayer systems, which can be used for a wide selection of multilayers. The model assumes perfect lattice matching at the interface between the different components in the multilayer. The only input is the knowledge of the elastic and lattice constants of the different components in the bulk as well as the relative thickness between the components in the multilayer. We show that the model is in good agreement when compared to first-principles theory calculations and also that there is good agreement between the model and experimental structures for several multilayer systems. The model is also shown to be more appropriate in describing thicker multilayers with larger periodicities such that the lattice constants in the system are independent on the periodicity. Furthermore, we provide results for the lattice parameters for a large body of multilayers based on transition metals and semiconducting materials.
Place, publisher, year, edition, pages
2011. Vol. 84, no 12, 125424- p.
IdentifiersURN: urn:nbn:se:uu:diva-159232DOI: 10.1103/PhysRevB.84.125424ISI: 000294777400017OAI: oai:DiVA.org:uu-159232DiVA: diva2:443970