fig3

Prediction of the atomic structure and thermoelectric performance for semiconducting Ge<sub>1</sub>Sb<sub>6</sub>Te<sub>10</sub> from DFT calculations

Figure 3. Electronic band structures of: (A) GST-I; (B) GST-II; and (C) GST-IV. The orange line is the highest valence band (HVB) and the red line represents the lowest conduction band (LCB). The inset of (B) is the zoomed in picture around the conduction band minimum (CBM) and valence band maximum (VBM). The Fermi level (Ef) is set to 0 eV.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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