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在石墨烯中,载流子迁移率和带隙呈反比关系。

Inverse relationship between carrier mobility and bandgap in graphene.

机构信息

College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences (BNLMS), and Center for Nanochemistry, Peking University, Beijing 100871, China.

出版信息

J Chem Phys. 2013 Feb 28;138(8):084701. doi: 10.1063/1.4792142.

Abstract

A frequently stated advantage of gapless graphene is its high carrier mobility. However, when a nonzero bandgap is opened, the mobility drops dramatically. The hardness to achieve high mobility and large on∕off ratio simultaneously limits the development of graphene electronics. To explore the underlying mechanism, we investigated the intrinsic mobility of armchair graphene nanoribbons (AGNRs) under phonon scattering by combining first-principles calculations and a tight-binding analysis. A linear dependence of the effective mass on bandgap was demonstrated to be responsible for the inverse mobility-gap relationship. The deformation-potential constant was found to be determined by the strain dependence of the Fermi energy and the bandgap, resulting in two mobility branches, and is essential for the high mobility of AGNRs. In addition, we showed that the transport polarity of AGNRs can be switched by applying a uniaxial strain.

摘要

无带隙石墨烯的一个常被提及的优势是其具有高载流子迁移率。然而,当存在非零带隙时,迁移率会显著下降。同时实现高迁移率和大的开/关比的难度限制了石墨烯电子学的发展。为了探究其内在机制,我们通过第一性原理计算和紧束缚分析相结合,研究了在声子散射下扶手椅型石墨烯纳米带(AGNRs)的本征迁移率。证明了有效质量与带隙之间的线性关系是导致迁移率与带隙呈反比关系的原因。发现赝势常数由费米能级和带隙的应变依赖性决定,这导致了两个迁移率分支,对于 AGNRs 的高迁移率是至关重要的。此外,我们表明通过施加单轴应变可以切换 AGNRs 的输运极性。

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