Fig. 4
From: Direct atomic insight into the role of dopants in phase-change materials
Total energy and bonding analysis of AIST with different arrangements. a structural images of three typical AIST models (M1–3) including their total electronic energy. b projected COHP (pCOHP) plots of In–Te (red) and In–Sb (blue) interactions in models M1 and M2, respectively. c pCOHP plots of Ag–Te (red) and Ag–Sb (blue) interactions in models M1 and M3, respectively. The integral of the pCOHP up to the Fermi level (IpCOHP) is shown to better quantify the results. The energy axes are referenced to the Fermi level εF
