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. Author manuscript; available in PMC: 2020 Apr 3.
Published in final edited form as: J Mater Chem A Mater. 2018 Oct 31;6:24175–24185. doi: 10.1039/C8TA07539E

Fig. 8.

Fig. 8

Defect formation energy (ΔHD,q) as a function of the Fermi energy (EF) for Co4Sn6Te6 under growth conditions corresponding to the chemical potentials at points A, B, and C shown in Fig. 7(c) (A, B, and C, respectively). EF is referenced to the valence band maximum and ranges from 0 eV to the calculated band gap (0.45 eV). The dominant defects include antisites TeSn and SnTe and Co interstitials. The subscripts (1) and (2) refer to different Wyckoff positions. The dopability window for donors (ΔEdon) and acceptors (ΔEacc) is marked for growth conditions corresponding to the point B. Vertical dotted lines represent the equilibrium Fermi energy established by charge neutrality at T = 873 K.