The Nature of Interlayer Binding and Stacking of $sp$-$s{p}^2$ Hybridized Carbon Layers: A Quantum Monte Carlo Study

Hyeondeok Shin, Jeongnim Kim, Hoonkyung Lee +3

$\alpha$-graphyne is a two-dimensional sheet of $sp$-$s{p}^2$ hybridized carbon atoms in a honeycomb lattice. While the geometrical structure is similar to that of graphene, the hybridize…