fig5

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 5. Total DOS of conduction bands (red line) and valence bands (orange line) around the respective CBMs and VBMs for stackings (A) GST-I and (B) GST-II. Electronic band structures of stackings (C) GST-I and (D) GST-II. The blue and red dashed lines indicate the Fermi level at the carrier concentrations of 2 × 1019 and 1 × 1020 cm-3, respectively. The positive and negative carrier concentrations represent the p- and n-type dopings, respectively. CBM: Conduction band minimum; VBM: valence band maximum.

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