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Spin caloritronics in magnetic tunnel junctions: Ab initio studies

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 Added by Christian Heiliger
 Publication date 2011
  fields Physics
and research's language is English




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This Letter presents ab initio calculations of the magneto-thermoelectric power (MTEP) and of the spin-Seebeck coefficient in MgO based tunnel junctions with Fe and Co leads. In addition, the normal thermopower is calculated and gives for pure Fe and Co an quantitative agreement with experiments. Consequently, the calculated values in tunnel junctions are a good estimation of upper limits. In particular, spin-Seebeck coefficients of more than 100 mu V/K are possible. The MTEP ratio exceed several 1000% and depends strongly on temperature. In the case of Fe leads the MTEP ratio diverges even to infinity at certain temperatures. The spin-Seebeck coefficient as a function of temperature shows a non-trivial dependence. For Fe/MgO/Fe even the sign of the coefficient changes with temperature.

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We calculate the spin-transfer torque in Fe/MgO/Fe tunnel junctions and compare the results to those for all-metallic junctions. We show that the spin-transfer torque is interfacial in the ferromagnetic layer to a greater degree than in all-metallic junctions. This result originates in the half metallic behavior of Fe for the $Delta_1$ states at the Brillouin zone center; in contrast to all-metallic structures, dephasing does not play an important role. We further show that it is possible to get a component of the torque that is out of the plane of the magnetizations and that is linear in the bias. However, observation of such a torque requires highly ideal samples. In samples with typical interfacial roughness, the torque is similar to that in all-metallic multilayers, although for different reasons.
The dependence of tunneling magnetoresistance and spin-transfer torque in FeCo/MgO/FeCo tunnel junctions on the Co concentration and the bias voltage are investigated ab initio. We find that the tunneling magnetoresistance decreases with the Co concentration in contradiction with previous calculations but in agreement with recent experiments. This dependence is explained from bulk properties of the alloys. By using a realistic description of the disorder in the alloys we can show that even small amounts of disorder lead to a drastic drop in the tunneling magnetoresistance. This provides a quantitative explanation of the difference between calculated and measured values. The spin-transfer torque shows a linear voltage dependence for the in-plane component and a quadratic for the out-of-plane component for all concentrations at small bias voltages. In particular, the linear slope of the in-plane torque is independent of the concentration. For high bias voltages the in-plane torque shows a strong nonlinear deviation from the linear slope for high Co concentrations. This is explained from the same effects which govern the tunneling magnetoresistance.
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