Possible superconductivity in Bismuth (111) bilayers. Its electronic and vibrational properties from first principles

Abstract

Using a 72-atom supercell we report ab initio calculations of the electronic and vibrational densities of states for the bismuth (111) bilayers (bismuthene) with periodic boundary conditions and a vacuum of 5 Å, 10 Å and 20 Å. We find that the electronic density of states shows a metallic character at the Fermi level and that the vibrational density of states manifests the expected gap due to the layers. Our results indicate that a vacuum down to 5 Å does not affect the electronic and vibrational structures noticeably. A comparison of present results with those obtained for the Wyckoff structure is displayed. Assuming that the Cooper pairing potential is similar for all phases and structures of bismuth, an estimate of the superconducting transition temperature gives 2.61 K for the bismuth bilayers.

8 pages, 4 figures, MRS fall meeting 2017

References in corpus (5)

• Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells
• Topological Insulators with Inversion Symmetry
• Quantum Spin Hall Effect and Enhanced Magnetic Response by Spin-Orbit Coupling
• Experimental evidence for bulk superconductivity in pure Bismuth single crystal at ambient pressure
• Compressed Crystalline Bismuth and Superconductivity-An ab initio computational Simulation