Abstract

The structural stability and electronic properties of graphene-like alloy nanosheets composed of group IV elements, such as monolayer SixGe1−x, GexSn1−x, and SixSn1−x, are systematically investigated by means of density functional calculations. Our calculations demonstrate that the buckled configuration is stabilized over the entire composition range. The analysis of band structures reveals that a linear band dispersion with Dirac cone at the K point similar to graphene appears in SixGe1−x, whereas a small energy gap within 0.23 eV is formed at the K point in SixSn1−x and GexSn1−x for 0.375 ≤ x ≤ 0.625. These results suggest that composition control is of importance in tailoring the electronic properties of group IV alloy nanosheets.

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