fig3
Figure 3. Atomic and electronic structures of amorphous Te-TeOx. (A) Atomic configuration of amorphous Te-TeOx generated by DFT simulations; (B) Charge density distribution of the Te-5p defect band, showing the spatially dispersed and percolated Te-5p orbitals; (C) Charge density distribution of the shallow acceptor state near the Te-5p defect band; (D) Projected density of states (DOS) of Te-TeOx calculated by DFT-PBE, highlighting the O-2p states, Te-5p defect band, and shallow acceptor levels near the Fermi energy (EF)[19]. (A-D) Adapted from Ref.[19] under the Creative Commons CC-BY license. DFT-PBE: density functional theory - Perdew-Burke-Ernzerhof.
