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Numerical simulation of multi-layer graphene structures based on quantum-chemical model

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Published under licence by IOP Publishing Ltd
, , Citation Y Kasper et al 2016 J. Phys.: Conf. Ser. 741 012022 DOI 10.1088/1742-6596/741/1/012022

1742-6596/741/1/012022

Abstract

The electronic structure of the multi-layer graphene has been studied using the density functional theory (DFT). The dependence of the average interlayer distance on the number of layers (n = 2 ÷ 6) has been determined. The analysis of the charge redistribution and the electron density of the bi- and three-layer graphene under the external pressure up to 50 GPa has been performed. The model of the interlayer conductivity of compressed multigraphene was offered

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10.1088/1742-6596/741/1/012022