Crystal flex bases and the RUM spectrum

Source abstract

A theory of infinite spanning sets and bases is developed for the first-order flex space of an infinite bar-joint framework, together with space group symmetric versions for a crystallographic bar-joint framework ${{\mathcal {C}}}$ . The existence of a crystal flex basis for ${{\mathcal {C}}}$ is shown to be closely related to the spectral analysis of the rigid unit mode (RUM) spectrum of ${{\mathcal {C}}}$ and an associated geometric flex spectrum . Additionally, infinite spanning sets and bases are computed for a range of fundamental crystallographic bar-joint frameworks, including the honeycomb (graphene) framework, the octahedron (perovskite) framework and the 2D and 3D kagome frameworks.