Record Details

Title:
Midgap states and band gap modification in defective graphene/h-BN heterostructures
Affiliation(s):
XFEL.EU staff, Other
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Topic:
Scientific area:
Abstract:
The role of defects in van der Waals heterostructures made of graphene and hexagonal boron nitride (h-BN) is studied using a combination of ab initio and model calculations. Despite the weak van der Waals interaction between layers, defects residing in h-BN, such as carbon impurities and antisite defects, reveal a hybridization with graphene $p_{z}$ states, leading to midgap state formation. The induced midgap states modify the transport properties of graphene and can be reproduced by means of a simple effective tight-binding model. In contrast to carbon defects, it is found that oxygen defects do not strongly hybridize with graphene's low-energy states. Instead, oxygen drastically modifies the band gap of graphene, which emerges in a commensurate stacking on h-BN lattices.
Imprint:
American Physical Society
2016
Journal Information:
Physical Review B, 94 (22), 224105 (2016)
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Language(s):
English
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