期刊
2D MATERIALS
卷 2, 期 4, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/2053-1583/2/4/041001
关键词
heterostructure; interface electronic structures; graphene; hexagonal boron nitride
资金
- National Basic Research Program of China [2012CB932703, 2012CB932700]
- National Natural Science Foundation of China [91221202, 11504366, 91421303, 61321001]
Heterostructures are often expected to be of enhanced electronic properties compared with homogeneous ones. Valuable experimental efforts have been devoted to the fabrication of graphene/hexagonal boron nitride (hBN) lateral heterostructures. It has been shown that abrupt interface between graphene and hBN could form in a controllable manner at the atomic scale. We thus investigate the electronic properties of such new hybrid structures by systematically considering possible interface configurations. Our results obtained with density-functional theorem reveal that interface has significant impact on electronic properties. Specifically, for heterostructures with a zigzag type of interface, electronic states are found to be spin-polarized, and a half-metallic phase is identified when the graphene domain is terminated with zigzag edges. For heterostructures with an armchair type of interface, electronic states display a robust semiconducting behavior. The novelty and diversity in electronic properties have implications for the design of new atomic devices in two dimensions based on lateral heterostructures.
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