Z(2) Invariance of Germanene on MoS2 from First Principles

Author(s)
Taher Amlaki, Menno Bokdam, Paul J. Kelly
Abstract

We present a low energy Hamiltonian generalized to describe how the energy bands of germanene ((Ge) over bar) 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) over bar vertical bar MoS2 bilayers and MoS2 vertical bar(Ge) over bar vertical bar MoS2 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 layer(s). Topologically nontrivial gaps for bilayers and trilayers can be almost as large as for a freestanding germanene layer.

Organisation(s)
Computational Materials Physics
External organisation(s)
University of Twente
Journal
Physical Review Letters
Volume
116
No. of pages
6
ISSN
0031-9007
DOI
https://doi.org/10.1103/PhysRevLett.116.256805
Publication date
06-2016
Peer reviewed
Yes
Austrian Fields of Science 2012
103025 Quantum mechanics, 103036 Theoretical physics, 103015 Condensed matter, 103009 Solid state physics
Keywords
ASJC Scopus subject areas
Physics and Astronomy(all)
Portal url
https://ucris.univie.ac.at/portal/en/publications/z2-invariance-of-germanene-on-mos2-from-first-principles(f4369ee4-08a3-4ae1-a306-3cc1941eac4a).html