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arxiv: 0910.2719 · v2 · submitted 2009-10-14 · ❄️ cond-mat.mtrl-sci

Effects of magnetism and electric field on the energy gap of bilayer graphene nanoflakes

classification ❄️ cond-mat.mtrl-sci
keywords armchairbilayernanoflakesmagnetismedgeelectricenergyfield
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We study the effect of magnetism and perpendicular external electric field strengths on the energy gap of length confined bilayer graphene nanoribbons (or nanoflakes) as a function of ribbon width and length using a \textit{first principles} density functional electronic structure method and a semi-local exchange-correlation approximation. We assume AB (Bernal) bilayer stacking and consider both armchair and zigzag edges, and for each edge type, we consider the two edge alignments, namely, $\alpha$ and $\beta$ edge alignment. For the armchair nanoflakes we identify three distinct classes of bilayer energy gaps, determined by the number of carbon chains in the width direction ({\it N} = 3{\it p}, 3{\it p}+1 and 3{\it p}+2, {\it p} is an integer), and the gaps decrease with increasing width except for class 3{\it p}+2 armchair nanoribbons. Metallic-like behavior seen in armchair bilayer nanoribbons are found to be absent in armchair nanoflakes. Class 3{\it p}+2 armchair nanoflakes show significant length dependence. We find that the gaps decrease with the applied electric fields due to large intrinsic gap of the nanoflake. The existence of a critical gap with respect to the applied field, therefore, is not predicted by our calculations. Magnetism between the layers plays a major role in enhancing the gap values resulting from the geometrical confinement, hinting at an interplay of magnetism and geometrical confinement in finite size bilayer graphene.

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