第一原理計算に基づくダンベル型GNR構造内の電子密度分布支配因子の検討

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  • 工藤 拓也
    東北大学工学研究科ファインメカニクス専攻
  • 鈴木 研
    東北大学工学研究科附属先端材料強度科学研究センター
  • 三浦 英生
    東北大学工学研究科附属先端材料強度科学研究センター

書誌事項

タイトル別名
  • First principle analysis of dominant structural factors on the electronic density state of dumbbell shape graphene nanoribbons

抄録

<p>Graphene nano ribbon (GNR) is one of the candidate materials for a tactile sensor, which composes of honey-comb-like hexagonal lattice of carbon atoms. Band gap of GNR drastically changes when its width decreases and GNR with width less than 70 nm shows semicinductive properties. In practical, ohmic contact between a metallic electrode and semconductive GNR is indispensable for reliability. Therefore, a dumbbell-shape structure called DS-GNR, which consists of GNRs with two different width, has been proposed. The wider portion is a large graphene sheet showing metallic properties to form ohmic contact between metallic thin-film electrodes and the narrower portion is GNR thin enough to show semiconductive properties. Although DS-GNR consists of only carbon atoms, there are the localization of density of states. In this study, local density of states in the DS-GNR was investigated by using first principle calculation based on density functional theory using SIESTA package in order to evaluate the structural effect on electronic states of DS-GNR. According to the local density of states, local band gap around junction portion varied form original one, and the band gap at the center of the sensing portion was almost equivalent to original band gap. In addition, zigzag edge generated a new peak of density state around Fermi energy when the width difference of two portion increased, which had small effect on electronic structure of center portion of sensing portion. These results show the possibility of DS-GNR to be applied to a fine tactile sensor.</p>

収録刊行物

  • 年次大会

    年次大会 2019 (0), J22201-, 2019

    一般社団法人 日本機械学会

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