Abstract
We use density functional theory to study a free-standing 2D copper monolayer. We find that the Cu monolayer is stable in 15 ps ab initio molecular dynamics simulations up to 1200 K. Due to the smaller number of bonds per atom in the 2D layer compared to the 3D bulk, we observe a significantly enhanced energy per bond (0.92 versus 0.58 eV/bond). This is similar to the increase in bond strength going from 3D diamond to 2D graphene. We predict various properties of this material, including band structure and density of states. The free-standing 2D Cu monolayer is hexagonal close packed and is the global minimum structure. One valence electron from each atom is delocalized and is donated into a 2D nearly free electron gas.
Highlights
Ultrathin materials including graphene, translation metal dichalcogenides, and boron nitride have generated great interest and exhibit fascinating properties including high carrier mobility [1], quantum Hall effect [2], extraordinary thermal conduction [3], magnetic resonance, and superconductivity [4]
We find that the Cu monolayer is stable in 15 ps ab initio molecular dynamics simulations up to 1200 K
Translation metal dichalcogenides, and boron nitride have generated great interest and exhibit fascinating properties including high carrier mobility [1], quantum Hall effect [2], extraordinary thermal conduction [3], magnetic resonance, and superconductivity [4]. These ultrathin materials have been based on single layers of lamellar van der Waals materials
Summary
Translation metal dichalcogenides, and boron nitride have generated great interest and exhibit fascinating properties including high carrier mobility [1], quantum Hall effect [2], extraordinary thermal conduction [3], magnetic resonance, and superconductivity [4]. These ultrathin materials have been based on single layers of lamellar van der Waals materials. Monolayer free-standing metallic structures with numerous unsaturated atoms are difficult to stabilize and their synthesis has been challenging. We will discuss the stability and properties of free-standing monolayer Cu films
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
