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arXiv · 1111.6333

First-Principles Study of Structural and Electronic Properties of Germanene

Harihar Behera·Gautam Mukhopadhyay
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Abstract

The ground state structural and electronic properties of germanene (the germanium analogue of graphene) are investigated using first-principles calculations. On structure optimization, the graphene-like honeycomb structure of germanene turns out as buckled (buckling parameter $Δ= 0.635$ Å) in contrast with graphene's planar structure (buckling parameter $Δ= 0.0$ Å). In spite of this, germanene has similar electronic structure as that of graphene. While corroborating the reported results, we newly predict the in-plane contraction of hexagonal Ge with (thermal) stretching along the "c" axis, akin to a phenomenon observed in graphite.

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Harihar Behera, Gautam Mukhopadhyay. 2011-11-28. First-Principles Study of Structural and Electronic Properties of Germanene. https://doi.org/10.1063/1.3606111

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