Solid solutioning of Mg 2 (Si, Sn) has been a promising approach in reducing thermal conductivity and leads to improvement of thermoelectric performance. In addition to the Mg 2 (Si, Sn) solid solutions, we have noticed a layered structure with a gradient composition, which is formed by nonequilibrium solidification and peritectic reaction process and can provide further reduction of thermal conductivity of the Mg 2 (Si, Sn) solid solutions. All layers of the layered structure have the same face-centered cubic-based structure but varying Sn/Si concentration ratios in each layer. The interfaces between the layers are semi-coherent, reticulating with different numbers of misfit dislocations. Such an interfacial structure brings large numbers of phonon-scattering sources, resulting in further reduction of thermal conductivity in the Mg 2 (Si, Sn) solid solutions. Consequently, the undoped Mg 2 Si 0.75 Sn 0.25 containing a higher density of the layered structure has relatively lower thermal conductivity, 1.9 W m −1 K −1 at 523 K, than Mg 2 Si 0.25 Sn 0.75 with a much lower density of the layered structure, 2.3 W m −1 K −1 at 523 K.
In organic semiconductors, the sudden appearance of deep traps (30 -100 meV) below 100 -200 K is frequently observed experimentally even in highly crystalline films and single crystals. We analyzed this phenomenon by molecular dynamics combined with semi-empirical quantum chemical calculation, and found that defect levels are concealed by thermal disorder at high temperatures but appear as hole traps at low temperatures. We propose that the thermal energetic disorder may lead to a considerably large thermoelectric effect in organic semiconductors.--
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