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• W2345525617 abstract "By performing ab initio calculations we obtained theoretical scanning tunneling microscopy (STM) images and studied the electronic properties of graphene on a hexagonal boron-nitrite (hBN) layer. Three different stack configurations and four twisted angles were considered. All calculations were performed using density functional theory, including van der Waals interactions as implemented in the SIESTA ab initio package. Our results show that the electronic structure of graphene is preserved, although some small changes are induced by the interaction with the hBN layer, particularly in the total density of states at 1.5 eV under the Fermi level. When layers present a twisted angle, the density of states shows several van Hove singularities under the Fermi level, which are associated to moiré patterns observed in theoretical STM images." @default.
• W2345525617 created "2016-06-24" @default.
• W2345525617 creator A5025834879 @default.
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• W2345525617 date "2016-09-01" @default.
• W2345525617 modified "2023-10-14" @default.
• W2345525617 title "Ab initio calculations on twisted graphene/hBN: Electronic structure and STM image simulation" @default.
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• W2345525617 doi "https://doi.org/10.1016/j.ssc.2016.05.001" @default.
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