Dirac Cones in Graphene, Interlayer Interaction in Layered Materials, and the Band Gap in MoS2

Abstract

The 2D outlook of graphene and similar layers has initiated a number of theoretical considerations of electronic structure that are both interesting and exciting, but applying these ideas to real layered systems, in terms of a model 2D system, must be done with extreme care. In the present review, we will discuss the applicability of the 2D concept with examples of peculiarities of electronic structures and interactions in particular layered systems: (i) Dirac points and cones in graphene; (ii) van der Waals interaction between MoS2 monolayers; and (iii) the issue of a 2D screening in estimates of the band gap for MoS2 monolayers.

Keywords

• atomic layers
• 2D systems
• MoS2
• graphene
• Dirac cone
• electronic structure
• band gap
• DFT calculations
• interlayer interaction
• 2D screening