Spin effects in thermoelectric properties of Al- and P-doped zigzag silicene nanoribbons

K. Zberecki; R. Swirkowicz; J. Barnas

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Spin effects in thermoelectric properties of Al- and P-doped zigzag silicene nanoribbons

机译：铝和磷掺杂的之字形硅纳米带的自旋效应对热电性能的影响

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Electric and thermoelectric properties of silicene nanoribbons doped with Al and P impurity atoms are investigated theoretically for both antiparallel and parallel orientations of the edge magnetic moments. In the former case, appropriately arranged impurities can lead to a net magnetic moment, and thus also to spin dependent transport and spin thermoelectric phenomena. In the latter case, in turn, spin thermoelectric effects also occur in the absence of impurities. To calculate spin density distribution and transport parameters we use ab initio numerical methods based on the density functional theory. The obtained results clearly show that the spin thermopower can be considerably enhanced by the impurities. This enhancement appears in certain regions of chemical potential.

机译：从理论上研究了掺杂有Al和P杂质原子的硅纳米带的电学和热电学性质，用于边缘磁矩的反平行和平行取向。在前一种情况下，适当布置的杂质会导致净磁矩，从而也导致自旋相关的输运和自旋热电现象。在后一种情况下，在没有杂质的情况下也会发生自旋热电效应。为了计算自旋密度分布和传输参数，我们使用基于密度泛函理论的从头算数值方法。所获得的结果清楚地表明，杂质可以大大提高自旋热功率。这种增强作用出现在某些具有化学潜力的区域。

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来源
《Physical review》 |2014年第16期|165419.1-165419.13|共13页
作者
K. Zberecki; R. Swirkowicz; J. Barnas;
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作者单位

Faculty of Physics, Warsaw University of Technology, ul. Koszykowa 75,00-662 Warsaw, Poland;

Faculty of Physics, Warsaw University of Technology, ul. Koszykowa 75,00-662 Warsaw, Poland;

Faculty of Physics, Adam Mickiewicz University, ul. Umultowska 85, 61-614 Poznan, Poland Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznan, Poland;

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electronic transport in nanoscale materials and structures;

机译：纳米级材料和结构中的电子传输;

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机译：al和p掺杂锯齿形的热电性质中的自旋效应硅烷纳米带

Spin effects in thermoelectric properties of Al- and P-doped zigzag silicene nanoribbons

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