Abstract
We have modeled the electrical properties of an Fe–MgO–Fe magnetotunnel junction (MTJ), using a combination of density functional theory and non-equilibrium Green’s functions. We have performed calculations for two series of random perturbations to the atomic coordinates perpendicular to the Fe/MgO interface, and report on the effects of such random variations of the structure on the calculated conductance. We find that the variations lead to significant differences in conductance.
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Stilling, M., Stokbro, K. & Flensberg, K. Electronic transport in crystalline magnetotunnel junctions: effects of structural disorder. J Computer-Aided Mater Des 14, 141–149 (2007). https://doi.org/10.1007/s10820-006-9033-x
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DOI: https://doi.org/10.1007/s10820-006-9033-x