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Periodic buckling patterns of graphene/ hexagonal boron nitride heterostructure

机译:石墨烯/六方氮化硼异质结构的周期性屈曲模式

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摘要

Graphene/hexagonal boron nitride (h-BN) heterostructure has showed great potential to improve the performance of a graphene device. A graphene on an h-BN substrate may buckle due to the thermal expansion mismatch between the graphene and h-BN. We used an energy method to investigate the periodic buckling patterns including one-dimensional, square checkerboard, hexagonal, equilateral triangular and herringbone mode in a graphene/h-BN heterostructure under equi-biaxial compression. The total energy, consisting of cohesive energy, graphene membrane energy and graphene bending energy, for each buckling pattern is obtained analytically. At a compression slightly larger than the critical strain, all buckling patterns have the same total energies, which suggests that any buckling pattern may occur. At a compression much larger than the critical strain, the herringbone mode has the lowest total energy by significantly reducing the membrane energy of graphene at the expense of a slight increase of the bending energy of graphene and cohesive energy. These results may serve as guidelines for strain engineering in graphene/h-BN heterostructures.
机译:石墨烯/六方氮化硼(h-BN)异质结构显示出极大的潜力来改善石墨烯器件的性能。 h-BN基板上的石墨烯可能会因石墨烯与h-BN之间的热膨胀不匹配而弯曲。我们使用一种能量方法研究了等双轴压缩下石墨烯/ h-BN异质结构中的一维,方格,六边形,等边三角形和人字形的周期性屈曲模式。通过分析获得每个屈曲图案的总能量,包括内聚能,石墨烯膜能和石墨烯弯曲能。在略大于临界应变的压缩量下,所有屈曲模式具有相同的总能量,这表明可能会发生任何屈曲模式。在比临界应变大得多的压缩力下,人字形模式通过显着降低石墨烯的膜能而具有最低的总能量,但以稍微增加石墨烯的弯曲能和内聚能为代价。这些结果可作为石墨烯/ h-BN异质结构中应变工程的指导。

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