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Title: | Role of volume versus defects in the electrical resistivity of lattice-distorted V(001) ultrathin films |
Authors: | Huttel, Yves CSIC ORCID ; Cerdá, J. I.; Martínez, J. L. CSIC ORCID ; Cebollada, Alfonso CSIC ORCID | Keywords: | Ab initio calculations Ballistic transport Chemical interdiffusion Electrical resistivity Interface structure Metal-insulator boundaries Metallic epitaxial layers Sputter deposition Vanadium |
Issue Date: | 30-Nov-2007 | Publisher: | American Physical Society | Citation: | Physical Review B 76, 195451 (2007) | Abstract: | 4 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 http://dx.doi.org/10.1103/PhysRevB.76.195451 |
URI: | http://hdl.handle.net/10261/13712 | DOI: | 10.1103/PhysRevB.76.195451 | ISSN: | 1098-0121 |
Appears in Collections: | (IMN-CNM) Artículos |
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Huttel, Y. et al Phys.Rev.B_76_2007.pdf | 332,61 kB | Adobe PDF | ![]() View/Open |
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