石墨烯和石墨炔的电子态、自旋调控和器件设计

项目名称： 石墨烯和石墨炔的电子态、自旋调控和器件设计

项目编号： No.61274099

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 无线电电子学、电信技术

项目作者： 吴锋民

作者单位： 浙江师范大学

项目金额： 91万元

中文摘要： 石墨烯具有极大的应用潜力，理解其电子态和自旋性质的调控以及相应器件的设计对于拓展石墨烯的应用是至关重要的。石墨炔是一类新型的碳同素异形体，并具有带隙的新型半导体材料，同样拥有广阔的应用前景。近期，石墨炔已在实验上成功制备，而对其基本性质的研究尚处于起步阶段。本项目将通过第一性原理计算开展石墨烯和石墨炔纳米材料的电子态及自旋性质调控的研究，从微观电子结构的角度来理解这些调控机制。并通过对输运性质的计算，设计功能化的石墨烯和石墨炔纳米材料器件，如自旋滤波器、整流管、场效应管等等。进一步，基于理论研究结果，制备石墨烯和石墨炔纳米器件。本项目的研究旨在为石墨烯和石墨炔纳米材料器件的设计提供新的思路，并推进其在纳电子领域的应用。

中文关键词： 石墨烯；石墨炔；第一性原理；电子态；输运特性

英文摘要： Graphene has great application potential. For its practical applications, it is of importance to realize the electronic and spin properties modulations of graphene, as well as the corresponding device design. Graphyne is a new form of carbon allotrope, which exhibits semiconductor properties with a nonzero bandgap, and has promising applications in nanoelectronics. Recently, one of the members in the graphyne family, graphdiyne, has been successfully prepared, whereas there are only a few researches focused on the basic properties of graphyne up to now. This proposal seeks to investigate the electronic and spin properties modulations of graphene and graphyne based nanostructures from first-principles calculations, and to understand the modulation mechanisms in view of electronic structures. Through transport property calculations of these materials, we also plan to design functionalized nanodevices such as spin filter, rectifier and field effect transistor. Furthermore, on the basis of theoretical calculations, graphene and graphyne based nanodevices will experimentally be fabricated. The objectives of this proposal are to provide new insight into the design of graphene and graphyne based nanodevices, and to promote their applications in nanoelectronics.

英文关键词： graphene；graphyne；first-principle calculations；electronic states；transport properties