Abstract
Structures for realizing hole-doped without appealing to chemical substitutions are proposed. These structures that consist of alternating and graphene layers have small excess energy compared to bulk graphite and . Density functional theory based first-principles electronic structure calculations show significant charge transfer from the layer to graphene, resulting in effectively hole-doped and electron-doped graphene. Substantial enhancement in the density of states at the Fermi level and significant in-plane lattice expansion of the proposed structures are predicted. These structures combines three important factors, namely, hole doping, high density of states at the Fermi level, and in-plane lattice expansion, that are favorable for a strong electron-phonon coupling.
- Received 2 January 2008
DOI:https://doi.org/10.1103/PhysRevB.77.052501
©2008 American Physical Society