Ab Initio Molecular Dynamics: Disorder Control in Crystalline GeSb 2 Te 4 Using High Pressure (Adv. Sci. 8/2015)

The anti‐site migrations of a prototypical phase‐change material under pressure are investigated by M. Xu, M Wuttig, and co‐workers in article number 1500117. The phase‐change material GeSb 2 Te 4 contains abundant vacancies. When subjected to a medium pressure, the vacancies may be occupied by adjacent Te atoms, followed by Sb atoms to fill the Te sites, forming “anti‐site Sb/Te pairs”, increasing the disorder of the lattice and inducing localized electronic states in the energy bands.