ELECTRONIC STRUCTURE OF GRAPHENE AND GERMANENE BASED ON DOUBLE HEXAGONAL STRUCTURE

Author:

NAJI S.12,BELHAJ A.3,LABRIM H.4,BENYOUSSEF A.156,EL KENZ A.1

Affiliation:

1. LMPHE, (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat, Morocco

2. Department of Physics, Faculty of Science, Ibb University, Ibb, Yemen

3. Département de Physique, Faculté Polydisciplinaire, Université Sultan Moulay Slimane, Béni Mellal, Morocco

4. Centre National de l'Energie, des Sciences et des Techniques Nucléaires, Rabat, Morocco

5. Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat, Morocco

6. Hassan II Academy of Science and Technology, Rabat, Morocco

Abstract

In this paper, we study the electronic structure of monolayer materials based on a double hexagonal geometry with (1×1) and [Formula: see text] superstructures. Inspired from the two-dimensional root system of an exceptional Lie algebra called G2, this hexagonal atomic configuration involves two hexagons of unequal side length at angle 30°. The principal unit hexagonal cell contains twelve atoms instead of the usual configuration involving only six ones relying only on the (1×1) superstructure. Using ab initio calculations based on FPLO9.00-34 code, we investigate numerically the graphene and the germanene with the double hexagonal geometry. In particular, we find that the usual electronic properties and the lattice parameters of such materials are modified. More precisely, the lattice parameters are increased. It has been shown that, in the single hexagonal geometry, the grapheme and the germanene behave as a gapless semiconductor and a semi-metallic, respectively. In double hexagonal geometry however, both materials becomes metallic.

Publisher

World Scientific Pub Co Pte Lt

Subject

Condensed Matter Physics,Statistical and Nonlinear Physics

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