Electronic properties of graphene and boron-nitride based nanostructured materials
Electronic properties of graphene and boron-nitride based nanostructured materials
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石墨烯和氮化硼基纳米结构材料的电子特性
DOI：
10.1088/1742-6596/302/1/012018
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发表时间：
2011
期刊：
影响因子：
--
通讯作者：
S. Saito
中科院分区：
文献类型：
--
作者：
M. Sakurai;Y. Sakai;S. Saito
在密度泛函理论的框架下，利用局域密度近似方法研究了周期性结构修饰的石墨烯的电子性质。结果表明，这种具有纳米管阵列的双层石墨烯是一种直接带隙半导体。此外，具有24个原子位置空位的周期性孔洞的单层石墨烯也被发现具有相当大的直接基本能隙。这些石墨烯基材料在未来的纳米电子学应用中应该是非常重要的。此外，我们还研究了由石墨烯和氮化硼层交替堆叠而成的超晶格的电子结构。该材料被发现是金属的，即使每个石墨烯层被绝缘BN层夹在中间，并且离其他石墨烯层很远。该材料可能显示出与石墨烯不同的有趣的电子性质。
We study the electronic properties of graphene with periodic structural modifications using the local density approximation within the framework of the density functional theory. It is found that the double-layer graphene with nanotube arrays which connect the two sheets seamlessly is a direct-gap semiconductor. Also the single-layer graphene with periodic holes of 24-atomic-site vacancy is found to have a sizable direct fundamental gap as well. These graphene-based materials should be of high importance for nanoelectronics applications in the future. In addition, we study the electronic structure of the superlattice composed of graphene and boron-nitride layers which are stacked alternately. The material is found to be metallic even though each graphene layer is sandwiched by insulating BN layers and is very far from other graphene layers. The material may show interesting electronic properties being different from those of graphene.