Abstract
The electron-energy spectrum of k-layer graphenes (k = 1–4)-both pure and with alkaline metals (M: Na, K, Rb, Cs) incorporated in the interlayer space-has been investigated. The concentration of “guest atoms” x varied. A computation procedure based on the density functional theory generalized to the case of periodic structures (cyclic boundary conditions are imposed on a symmetrically-expanded elementary cell (EC)) is used. The dependences of the chemical potential level, the energy gain caused by the incorporation of M atoms, and the barriers of M transfers between the nearest stable states in the interlayer space of a multilayer graphene on k and x are discussed.
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Original Russian Text © A.O. Litinskii, Ta Dinh Hien, 2012, published in Rossiiskie Nanotekhnologii, 2012, Vol. 7, Nos. 3–4.
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Litinskii, A.O., Hien, T.D. Energy spectrum of electrons in multilayer graphenes doped with atoms of alkaline metals. Nanotechnol Russia 7, 140–148 (2012). https://doi.org/10.1134/S1995078012020127
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DOI: https://doi.org/10.1134/S1995078012020127