Ab-initio study of superconducting state in intercalated MoSe2 and WSe2 bilayers

作者：Szczesniak R; Durajski A P; Jarosik M W

来源：Physica B: Condensed Matter , 2018, 536: 773-776.

DOI：10.1016/j.physb.2017.10.058

• Superconductivity
• DFT study
• Intercalation
• Transition-metal dichalcogenides

A two-dimensional systems have attracted significant interest due to their outstanding physical, chemical and optoelectronic properties. This paper focuses on the detailed investigations of the electronic, phononic and superconducting properties of transition-metal dichalcogenide bilayers MSe (2) (M = Mo, W) intercalated by calcium atoms. The first-principles calculations show that (MoSe2)(2)Ca and (WSe2)(2)Ca systems exhibit metallic behavior and weak phonon-mediated superconductivity with low critical temperature of 0.51 and 0.30 K, respectively. These results confirm other theoretical predictions and suggest that the investigated materials cannot be a good candidates for a nanoscale superconductors.

• 出版日期2018-5-1