• 文献标题:   Effects of magnetism and electric field on the energy gap of bilayer graphene nanoflakes
  • 文献类型:   Article
  • 作  者:   SAHU B, MIN HK, BANERJEE SK
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Univ Texas Austin
  • 被引频次:   17
  • DOI:   10.1103/PhysRevB.81.045414
  • 出版年:   2010

▎ 摘  要

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 first-principles density-functional electronic structure method and a semilocal 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 (N=3p, 3p+1 and 3p+2, p is an integer), and the gaps decrease with increasing width except for class 3p+2 armchair nanoribbons. Metallic-like behavior seen in armchair bilayer nanoribbons are found to be absent in armchair nanoflakes. Class 3p+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.