Electronic structure and stability of layered superlattice composed of graphene and boron nitride monolayer

Yuki Sakai, Takashi Koretsune, Susumu Saito

研究成果: Article査読

44 被引用数 (Scopus)

抄録

We study superlattices with alternate stacking of graphene and boron nitride monolayers. We propose several candidate stacking sequences of the superlattices, and optimize their geometries based on the energetics in the framework of the density functional theory. From the total energies of the superlattices with the candidate stacking sequences, we identify the most stable stacking sequence. The atomic configuration of the superlattice with the most stable stacking sequence is found to have the shortest B-C distance among all the optimized superlattice geometries, indicating a strong interaction between the carbon and boron atoms. We also study the electronic structure of the superlattices in detail. It is revealed that the most stable structure exhibits metallic electronic properties.

本文言語English
論文番号205434
ジャーナルPhysical Review B - Condensed Matter and Materials Physics
83
20
DOI
出版ステータスPublished - 2011 5 31
外部発表はい

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学

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