Z2\mathbb{Z}_2 invariance of Germanene on MoS2_2 from first principles

preprint2016arXivOpen access

Abstract

We present a low energy Hamiltonian generalized to describe how the energy bands of germanene (Ge‾\rm \overline{Ge}) are modified by interaction with a substrate or a capping layer. The parameters that enter the Hamiltonian are determined from first-principles relativistic calculations for Ge‾∣\rm \overline{Ge}|MoS2_2 bilayers and MoS2∣Ge‾∣_2|\rm \overline{Ge} |MoS2_2 trilayers and are used to determine the topological nature of the system. For the lowest energy, buckled germanene structure, the gap depends strongly on how germanene is oriented with respect to the MoS2_2 layer(s). Topologically non-trivial gaps for bilayers and trilayers can be almost as large as for a free-standing germanene layer.

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