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  • Title: Van der Waals stacks of few-layer h-AlN with graphene: an ab initio study of structural, interaction and electronic properties.
    Author: dos Santos RB, Mota Fde B, Rivelino R, Kakanakova-Georgieva A, Gueorguiev GK.
    Journal: Nanotechnology; 2016 Apr 08; 27(14):145601. PubMed ID: 26902955.
    Abstract:
    Graphite-like hexagonal AlN (h-AlN) multilayers have been experimentally manifested and theoretically modeled. The development of any functional electronics applications of h-AlN would most certainly require its integration with other layered materials, particularly graphene. Here, by employing vdW-corrected density functional theory calculations, we investigate structure, interaction energy, and electronic properties of van der Waals stacking sequences of few-layer h-AlN with graphene. We find that the presence of a template such as graphene induces enough interlayer charge separation in h-AlN, favoring a graphite-like stacking formation. We also find that the interface dipole, calculated per unit cell of the stacks, tends to increase with the number of stacked layers of h-AlN and graphene.
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