Giant Seebeck coefficient of the graphene/h-BN superlattices
Giant Seebeck coefficient of the graphene/h-BN superlattices
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DOI：
10.1063/1.4820820
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发表时间：
2013-09
影响因子：
4
通讯作者：
Yushi Yokomizo;J. Nakamura
中科院分区：
文献类型：
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作者：
Yushi Yokomizo;J. Nakamura
采用基于密度泛函理论的从头计算方法研究了由锯齿形石墨烯纳米带（ZGNRs）和锯齿形氮化硼纳米带（ZBNNRs）组成的石墨烯/h-BN超晶格的电子结构和塞贝克系数。研究表明，ZGNR/ZBNNR 的塞贝克系数比石墨烯大 20 倍。超晶格的塞贝克系数随着组成 ZGNR 的宽度的减小而增加。研究表明，超晶格的巨大塞贝克系数源于具有有限能隙的所谓布丁模带。
The electronic structures and Seebeck coefficients of the graphene/h-BN superlattices which consist of zigzag graphene nanoribbons (ZGNRs) and zigzag BN nanoribbons (ZBNNRs) have been investigated using ab initio calculations based on the density functional theory. It has been shown that a ZGNR/ZBNNR marks up to 20 times larger in the Seebeck coefficient than graphene. The Seebeck coefficients of the superlattices increase with decreasing width of the constituent ZGNR. It has been revealed that the giant Seebeck coefficients of the superlattices stem from the so-called pudding mold band with a finite energy gap.