Description
Using first principle calculations, we propose functionalized germanene (GeX, X = H, F, Cl, Br, I, OH, CH3) as emerging nanomaterials. Although germanene has no band gap, complete functionalization with H induces band gap of ~1.80 eV. A 50% H functionalization shows a dangling band at the Fermi level. Germanene I (GeI) is a 2D Topological Insulators (TI). GeH, GeF, GeCl, and GeBr can be transformed into TI by applying strain.The methyl-functionalized two-dimensional germanium monolayer sheets have been synthesized with a facile, one-step metathesis approach from CaGe2 crystals. We find that tensile strain can induce topological phase transition with band inversion at Gamma point. The band gap opened by spin-orbit coupling in this quantum spin Hall insulator can be as large as 0.1 eV ample for practical applications at room temperature.
Recommended Citation
Datta, D., Li, J., & Shenoy, V. (2014). Surface terminated germanene as emerging nanomaterials. In A. Bajaj, P. Zavattieri, M. Koslowski, & T. Siegmund (Eds.). Proceedings of the Society of Engineering Science 51st Annual Technical Meeting, October 1-3, 2014 , West Lafayette: Purdue University Libraries Scholarly Publishing Services, 2014. https://docs.lib.purdue.edu/ses2014/mms/ammm/5
Surface terminated germanene as emerging nanomaterials
Using first principle calculations, we propose functionalized germanene (GeX, X = H, F, Cl, Br, I, OH, CH3) as emerging nanomaterials. Although germanene has no band gap, complete functionalization with H induces band gap of ~1.80 eV. A 50% H functionalization shows a dangling band at the Fermi level. Germanene I (GeI) is a 2D Topological Insulators (TI). GeH, GeF, GeCl, and GeBr can be transformed into TI by applying strain.The methyl-functionalized two-dimensional germanium monolayer sheets have been synthesized with a facile, one-step metathesis approach from CaGe2 crystals. We find that tensile strain can induce topological phase transition with band inversion at Gamma point. The band gap opened by spin-orbit coupling in this quantum spin Hall insulator can be as large as 0.1 eV ample for practical applications at room temperature.