Simulation of vibrations in hydrogenated diamond-like nanofilms

The paper calculates the phonon spectrum of diamane [1] in the framework of the Hamilton formalism. The geometric model of diamane is represented as a two-layer graphene, but each C-atom has sp³ hybridization of external  electronic orbitals. The carbon atoms of one of the grapheme sublattices are covalently bound to the atoms of the second graphene layer, and the outer hydrogen atoms are covalently connected to the atoms of the second  sublattice. A diamane unit cell contains two carbon atoms from a graphene unit cell and one hydrogen atom. When constructing the model, the curvature of the graphene plane was taken into account as a result of the addition of  hydrogen atoms to it and the change in the hybridization of the external electronic orbitals of carbon atoms from sp² to sp³. The interaction between hydrogen atoms was not taken into account.