Gate-enhanced thermoelectric effects in all-carbon quantum devices

Gate-enhanced thermoelectric effects in all-carbon quantum devices
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全碳量子器件中的栅极增强热电效应

DOI:
10.1016/j.carbon.2016.08.014
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发表时间:
2016-11
期刊:
影响因子:
10.9
通讯作者:
Wang X. F.
Wang X. F.
中科院分区:
材料科学2区
文献类型:
--
作者:
Liu Y. S.;Shao X. Y.;Shao T.;Zhang J. Y.;Kuang Y. W.;Zhang D. B.;Shao Z. G.;Yu H. L.;Hong X. K.;Feng J. F.;Yang X. F.;Chen X. S.;Wang X. F.

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提高碳基量子器件热电性能的可能性在节能、环保、绿色能源等领域具有基础性和重要性。在这里,我们提出了一种利用第一性原理方法来提高全碳量子器件热电优值的有效途径,该器件是由锯齿形边三角石墨烯(ZTG)和锯齿边石墨烯纳米带(ZGNR)电极通过碳原子链(CACs)连接而成的。使用栅场,可以将自旋上传峰值从费米能级以下的位置调谐到费米能级以上的位置。然而,在费米能级以上的自旋下降透射峰的位置对栅场不敏感。因此,对于自旋组件,可以通过栅场将器件从p型转换为n型,而对于自旋组件,器件保持n型。同时,我们还发现在费米能级下的电荷(自旋)TE-FOM可以比没有栅场的情况下增加约8(3)倍。通过调节入射电子能量和温度,这些TE-FOM也可以得到显著改善。
The possibility to improve thermoelectric performance of carbon-based quantum devices is of fundamental and importance in the fields of energy conservation, environmental protection, and green energy. Here we propose an effective avenue to enhance the thermoelectric figure of merits (TE-FOMs) of an all-carbon quantum device with the help of first-principles methods, and the device is constructed by a zigzag-edged trigonal graphene (ZTG) connected with zigzag-edged graphene nanoribbons (ZGNR) electrodes through the carbon atomic chains (CACs). Using a gate field, the spin-up transmission peak can be tuned from the position below the Fermi level to that above the Fermi level. However, the position of the spin-down transmission peak above the Fermi level is insensitive to the gate field. Therefore, the device can be converted from the p type to n type for the spin-up component by a gate field, while for the spin-down component the device remains n type. Meanwhile, we also find that the charge (spin) TE-FOMs at the Fermi level can be increased to about eight (three) times as compared with the case in the absence of the gate field. These TE-FOMs can also be significantly improved by tuning the incident electron energy and temperature.
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