Theoretical Studies of Boundary Effects on Electronic Properties of Graphene and Related-Materials

石墨烯及相关材料电子性能边界效应的理论研究

• 批准号: 23310083
• 负责人: WAKABAYASHI KATSUNORI
• 金额: $ 11.65万
• 依托单位: National Institute for Materials Science
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (B)
• 财政年份: 2011
• 资助国家: 日本
• 起止时间: 2011-04-01 至 2014-03-31
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23310083/
• 关键词: グラフェン; 理論; ナノリボン; エッジ状態; 磁性; 原子膜; 遷移金属ダイカルコゲナイド系物質; 電子輸送; 第一原理計算; 電子伝導; ナノテクノロジー; エッジ効果; 分子膜; 配置間相互作用; 電気伝導

In this research program, we have investigated the effect of edge and interface on the electronic properties of graphene and its related materials using theoretical and computational techniques. It is found that the peculiar spin-polarized states which appear near the edge boundaries show vanishing charge and magnetic excitation gaps by the carrier doping, i.e. metallic magnetic states. It is also found that graphene corner edges have magic corner angles in which zero-energy edge state disappear. Furthermore, we have developed Boltzmann theory for carrier transport mechanism in graphene double-layer systems. Our work will serve for designing carbon-based electronic devices.

在该研究计划中，我们使用理论和计算技术研究了边缘和界面对石墨烯及其相关材料的电子特性的影响。发现出现在边缘边界附近的奇特自旋偏振状态显示了载体掺杂的消失电荷和磁激发隙，即金属磁态。还发现石墨烯角边缘具有魔法角角，其中零能边缘状态消失。此外，我们已经开发了石墨烯双层系统中载体传输机制的玻尔兹曼理论。我们的工作将用于设计基于碳的电子设备。

项目成果

Physics and Chemistry of Graphene: Graphene to Nanographene

• DOI: 10.1201/b14396
• 发表时间: 2013-01-01
• 期刊: PHYSICS AND CHEMISTRY OF GRAPHENE: GRAPHENE TO NANOGRAPHENE

Tuning Charge and Spin Excitations in Nanographene

调节纳米石墨烯中的电荷和自旋激发

• 作者: S. Dutta;K. Wakabayashi
• 通讯作者: K. Wakabayashi

Nanogcale Edge Effect on Electronic Transport Properties of Graphene - Role of Zigzag and Armchair Edge - Localisation 2011

纳米尺度边缘对石墨烯电子输运特性的影响 - Zigzag 和扶手椅边缘的作用 - 本地化 2011

• 发表时间: 2011
• 作者: Takuya Iida;Mamoru Tamura;K. Wakabayashi (NIMS)
• 通讯作者: K. Wakabayashi (NIMS)

Graphene Point Contact as a Single-level System

石墨烯点接触作为单级系统

• 发表时间: 2013
• 作者: Kadota S;et al.;H.-Y. Deng and K. Wakabayashi
• 通讯作者: H.-Y. Deng and K. Wakabayashi

Electronic Transport Properties of Graphene Point Contact

石墨烯点接触的电子传输特性

• 发表时间: 2013
• 作者: Haiyao Deng;and Katsunori Wakabayashi
• 通讯作者: and Katsunori Wakabayashi