A new Dirac cone material: a graphene-like Be3C2 monolayer. Issue 17 (13th April 2017)

• Record Type: Journal Article
• Authors: Wang, Bing; Yuan, Shijun; Li, Yunhai; Shi, Li; Wang, Jinlan
• Is Part Of: Nanoscale. Volume 9:Issue 17(2017)
• Page Start: 5577
• Page End: 5582
• Publication Date: 2017-04-13
• Subjects: Nanoscience -- Periodicals; Nanotechnology -- Periodicals; 620.505
• DOI: 10.1039/c7nr00455a
• Languages: English
• ISSNs: 2040-3364

Abstract

Abstract : The optimized geometry and 3D valence and conduction bands of the Be3 C2 monolayer. Abstract : Two-dimensional (2D) materials with Dirac cones exhibit rich physics and many intriguing properties, but the search for new 2D Dirac materials is still a current hotspot. Using the global particle-swarm optimization method and density functional theory, we predict a new stable graphene-like 2D Dirac material: a Be3 C2 monolayer with a hexagonal honeycomb structure. The Dirac point occurs exactly at the Fermi level and arises from the merging of the hybridized p z bands of Be and C atoms. Most interestingly, this monolayer exhibits a high Fermi velocity in the same order of graphene. Moreover, the Dirac cone is very robust and retains even included spin–orbit coupling or external strain. These outstanding properties render the Be3 C2 monolayer a promising 2D material for special electronics applications.