Competing stoichiometric phases and the intermediate phase in Ge x Se 1− x glasses

Raman and calorimetric studies on Ge x Se 1− x glasses have provided evidence for the existence of the intermediate phase (IP) in chalcogenide and other glasses. Ab initio molecular dynamics models of these glasses are discussed, and an atomistic picture of the IP, based upon the models and available experiments is presented. Analysis of our models reveals that the IP in Ge x Se 1− x glasses may arise from the competition between amorphous GeSe 2 and a polymeric a‐Se phase, which gives rise to the non‐monotonic evolution of the network parameters through the IP window. A possible electronic signature of the IP in terms of the shift in the conduction edge in the IP range is also observed.