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Onset of vertical bonds in new GaN multilayers: Beyond van der Waals solids

Abstract

Suspended single layer of GaN in honeycomb structure is stable in planar geometry. By stacking these GaN layers one can construct bilayers or multilayers, even new 3D periodic structures. In this study, we clarified how the planar layers are buckled with the onset of vertical Ga-N bonds. Among the four stable phases of bilayer GaN, only one of them maintains the planar geometry, which are bound by weak van der Waals interaction. For the remaining three phases, the layers are buckled with the onset of weak vertical bonds, and attain total energies slightly lower than that of the planar geometry. Structural phase changes, as well as direct-indirect band transitions take place under strain and electrostatic charging. The vertical bonds become shorter in multilayers, and eventually attain the bulk value. Among stable phases of 3D periodic GaN, only one with graphite like structure behaves as a layered, van der Waals solid; whereby others are 3D uniform crystals beyond the van der Waals solid.

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Publication details

The article was received on 12 Jul 2018, accepted on 30 Oct 2018 and first published on 01 Nov 2018


Article type: Paper
DOI: 10.1039/C8NR05626A
Citation: Nanoscale, 2018, Accepted Manuscript
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    Onset of vertical bonds in new GaN multilayers: Beyond van der Waals solids

    A. Onen, D. Kecik, E. Durgun and S. Ciraci, Nanoscale, 2018, Accepted Manuscript , DOI: 10.1039/C8NR05626A

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