Energy spectrum of electrons in multilayer graphenes doped with atoms of alkaline metals
- 30 Downloads
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.
KeywordsAlkaline Metal Brillouin Zone Graphene Layer Interlayer Space Single Layer Graphene
Unable to display preview. Download preview PDF.
- 6.C. Berger, Z. Song, T. Li, X. Li, A. Y. Ogbazghi, R. Feng, Z. Dai, A. N. Marchenkov, E. H. Conrad, P. N. First, and W. A. Heer, “Ultrathin Epitaxial Graphite: 2D Electron Gas Properties and a Route toward Graphene-Based Nanoelectronics,” J. Phys. Chem. B 108, 19912–19916 (2004).CrossRefGoogle Scholar
- 8.Yu. A. Dyadin, “Graphite and Its Inclusion Compounds,” Soros. Obrazovat. Zh. 6(10), 43–49 (2000).Google Scholar
- 12.W. Kohn and L. J. Sham, “Self-Consistent Equations Including Exchange and Correlation Effects,” Phys. Rev. Lett. 140, 1133–1138 (1965).Google Scholar
- 17.R. A. Evarestov, Quantum Chemistry of Solids. The LCAO First Principles of Crystals (Springer-Verlag, Berlin, Heidelberg, 2007).Google Scholar