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Role of volume versus defects in the electrical resistivity of lattice-distorted V(001) ultrathin films

AuthorsHuttel, Yves ; Cerdá, J. I.; Martínez, J. L. ; Cebollada, Alfonso
KeywordsAb initio calculations
Ballistic transport
Chemical interdiffusion
Electrical resistivity
Interface structure
Metal-insulator boundaries
Metallic epitaxial layers
Sputter deposition
Issue Date30-Nov-2007
PublisherAmerican Physical Society
CitationPhysical Review B 76, 195451 (2007)
Abstract4 nm thick V layers grown by triode sputtering on MgO(001) single crystals and capped with MgO exhibit a perfect epitaxy accompanied by a tetragonal distortion and an unexpected volume compression that increases with the V deposition temperature. The electrical resistivity follows a deposition temperature dependence with these structural modifications, decreasing by an order of magnitude across the temperature range studied. Total energy ab initio calculations rule out electronic structure changes and/or oxygen interface diffusion as responsible for the structure variation. Calculations of the ballistic conductance for the epitaxial V films do not reproduce the resistivity-volume correlation, implying a diffusive electron transport mechanism in the films, despite their high crystallinity. Instead, we assign the origin of the electrical behavior to the presence of growth induced defects in the V lattice, whose density is higher in films deposited at low temperature, and decreases as deposition temperature increases. These results extend the previous findings in volume expanded H loaded Fe/V and Mo/V superlattices to simpler structures where the H content is negligible and, additionaly, all the electronic transport is confined within the V film.
Publisher version (URL)http://link.aps.org
Appears in Collections:(IMN-CNM) Artículos
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