Stability and properties of high-buckled two-dimensional tin and lead

Abstract

In realizing practical non-trivial topological electronic phases stable structures need to be determined first. Tin and lead do stabilize an optimal two-dimensional high-buckled phase --a hexagonal-close packed bilayer structure with nine-fold atomic coordination-- and they do not stabilize topological fullerenes, as demonstrated by energetics, phonon dispersion curves, and the structural optimization of finite-size samples. The high-buckled phases are metallic due to their high atomic coordination. The optimal structure of fluorinated tin lacks three-fold symmetry and it stabilizes small samples too. It develops two oblate conical valleys on the first Brillouin zone coupling valley, sublattice, and spin degrees of freedom with a novel ${\tau }_z{\sigma }_x{s}_x$ term, thus making it a new 2D platform for valleytronics.

Submitted on 07/27/14. Accepted as a Rapid Communication on 11/20/14

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