Theoretical study of an amorphous chalcogenide surface

Abstract The structure of amorphous surfaces is a challenging frontier yet to be thoroughly explored. Standard surface characterization techniques like STM are difficult to apply to these surfaces. We have studied GeSe 2 glass surfaces using first principle methods in a slab geometry. The glass surfaces are obtained by quenching a slab of an equilibrated liquid. We have found that these surfaces are well characterized by the distribution of rings. A detailed study of ring formation and associated properties is presented. We also briefly describe the electronic/optical and vibrational structure of these surfaces.