The calculation of defect formation energy in Bi2Te3 and Bi2Se3 systems (IMAGE)

Science China Press

The calculation of defect formation energy in Bi2Te3 and Bi2Se3 systems

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The DFT calculated defect formation energy of corresponding defects in Cu-Bi2Te3 for (a) Bi-rich and (b) Te-rich cases. The DFT calculated defect formation energy of corresponding defects in Cu-Bi2Se3 for (c) Bi-rich and (d) Se-rich cases.

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