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Register a new userAb initio studies of the tunneling magneto-Seebeck effect: influence of magnetic material
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We found a strong influence of the composition of the magnetic material on the temperature dependence of the tunneling magneto-Seebeck effect in $MgO$ based tunnel junctions. We use textit{ab initio} alloy theory to consider different $Fe_xCo_{1-x}$ alloys for the ferromagnetic layer. Even a small change of the composition leads to strong changes in the magnitude or even in the sign of the tunneling magneto-Seebeck effect. This can explain differences between recent experimental results. In addition, changing the barrier thickness from six to ten monolayers of $MgO$ leads also to a non-trivial change of the temperature dependence. Our results emphasize that the tunneling magneto-Seebeck effect depends very crucially and is very sensitive to material parameters and show that further experimental and theoretical investigations are necessary.
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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.
We find an unusual angular dependence of the tunneling magneto-Seebeck effect (TMS). The conductance shows normally a cosine-dependence with the angle between the magnetizations of the two ferromagnetic leads. In contrast, the angular dependence of the TMS depends strongly on the tunneling magneto resistance (TMR) ratio. For small TMR ratios we obtain also a cosine-dependence whereas for very large TMR ratios the angular dependence approaches a step-like function.
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.
We theoretically investigate the Tunneling Anisotropic Magneto-Seebeck effect in a realistically-modeled CoPt|MgO|Pt tunnel junction using coherent transport calculations. For comparison we study the tunneling magneto-Seebeck effect in CoPt|MgO|CoPt as well. We find that the magneto-Seebeck ratio of CoPt|MgO|Pt exceeds that of CoPt|MgO|CoPt for small barrier thicknesses, reaching 175% at room temperature. This result provides a sharp contrast to the magnetoresistance, which behaves oppositely for all barrier thicknesses and differs by one order of magnitude between devices. Here the magnetoresistance results from differences in transmission brought upon by changing the tunnel junctions magnetization configuration. The magneto-Seebeck effect results from variations in asymmetry of the energy-dependent transmission instead. We report that this difference in origin allows for CoPt|MgO|Pt to possess strong thermal magnetic-transport anisotropy.
The effect of a magnetic field on the optical absorption in semiconductors has been measured experimentally and modeled theoretically for various systems in previous decades. We present a new first-principles approach to systematically determine the response of excitons to magnetic fields, i.e. exciton $g$ factors. By utilizing the $GW$-Bethe-Salpeter equation methodology we show that $g$ factors extracted from the Zeeman shift of electronic bands are strongly renormalized by many-body effects which we trace back to the extent of the excitons in reciprocal space. We apply our approach to monolayers of transition metal dichalcogenides (MoS$_2$, MoSe$_2$, MoTe$_2$, WS$_2$, and WSe$_2$) with strongly bound excitons for which $g$ factors are weakened by about 30%.
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