LAUSR

Significance In crystalline solids, atoms are arranged in periodic patterns on regular lattices. Amorphous solids, instead, lack long-range order; namely, a regular array of atoms beyond first or second nearest neighbors is absent. The lack of periodicity influences many properties of amorphous materials, including the coupling of electronic and nuclear motion. Here we study amorphous carbon, a system composed of a relatively light atom. We show that to understand its electronic properties, a quantum mechanical treatment of electron–nuclear coupling is essential, and we illustrate a simulation framework based on first principles to do so. We also discuss the role of specific defect states in the disordered network in determining the physical properties of amorphous carbon.