Figure 6. Electronic density of states (DOS) of liquid Ge₂Sb₂Te₅ at different temperatures extracted from the vdW-DF2 AIMD simulations.

The DOS projected (pDOS) onto the (s), (p) and (d) orbitals (dotted, dashed-dotted and dashed lines respectively) of the 3 atomic species is also included. The plots show that the DOS near the Fermi energy E_F has predominant (p) character, whereas the (s) orbitals mostly contribute to the states below −6 eV (notice that, in this region, the total DOS of Ge and Sb atoms basically coincides with the pDOS onto the (s) states).