Quantum capacitance of quasi-2D-crystals

Abstract

Results of research in the quantum capacitance [Formula: see text] of quasi-2D-crystals are presented. The detected extraordinary behavior of [Formula: see text] manifests itself in the existence of such energy ranges in which it is practically equal to zero. The causes for the existence of such ranges are: (a) dimensional quantization as a result of the nanoscale of the van der Waals gap, (b) a certain value of the width of the allowed zone in the plane of the layers, which is determined by the value of the effective mass. Intercalation and external electric field are effective factors capable of changing the position of ranges. Thus, in a system connected in a series of electrostatic and quantum capacitances, the resulting capacitance will significantly depend on the [Formula: see text] behavior. Comparative analyses of structures, chemical bonds, majority of coinciding characteristics of physical quantities in graphite, transition metal dichalcogenides (TMD), and layered crystals A3B6 allow us to assert that the obtained qualitative conclusions can be applied for each of them. Calculations of density of states (DOS) of quasi-2D crystals performed by authors within the framework of the improved Kohn–Sham density functional theory (DFT), namely the DFT taking into account the van der Waals forces in it, show a step-like form of DOS qualitatively similar to ours.