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Strain Effect on Electronic Properties of Arsenene/Graphene Heterostructure

机译:应变对砷/石墨烯异质结构电子性质的影响

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摘要

Using density functional theory calculations with van der Waals (vdW) corrections, we investigate the strain effect on electronic properties of arsenene/graphene bilayer heterostructure. It is demonstrated that the transitions from n-type doping to p-type doping of arsenene occurs when the biaxial strain is applied from -10% to 10%, which origins from the vdW interactions between arsenene and graphene. Moreover, the strain can also induce tunable bandgap of arsenene from 0.41 eV to 1.80 eV.
机译:使用具有范德华(vdW)校正的密度泛函理论计算,我们研究了应变对砷/石墨烯双层异质结构电子性能的影响。结果表明,当从-10%到10%施加双轴应变时,会发生从砷的n型掺杂到p型掺杂的转变,这是由于砷和石墨烯之间的vdW相互作用引起的。此外,该菌株还可以诱导砷从0.41 eV到1.80 eV的可调带隙。

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