Coupled Insights into Structural, Electronic, and Optical Properties of GeTMS<sub>3</sub>(TM=Sc, Fe, Zn) Sulfide Perovskite across Different Phases: Ab Initio Study

<div>Total and partial density of states (TDOS and PDOS) for GeFeS<sub>3</sub>: (a) 221-Pm-3m (spin up and spin down), (b) 127-P4/mbm (spin up and spin down), and (c) 62-Pnma (spin up and spin down) (black: TDOS; red: s-states; blue: p-states; green: d-states).</div>

International Journal of Energy Research

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Figure 9

Figure 9: Coupled Insights into Structural, Electronic, and Optical Properties of GeTMS<sub>3</sub>(TM=Sc, Fe, Zn) Sulfide Perovskite across Different Phases: Ab Initio Study 

Figure 9 | Coupled Insights into Structural, Electronic, and Optical Properties of GeTMS3(TM=Sc, Fe, Zn) Sulfide Perovskite across Different Phases: Ab Initio Study 