Abstract
Intermediate band solar cells(IBSCs) have attracted much attention owing to the ideal three-photon absorption by one absorber. Here, we have investigated Sb-doped Cu2ZnSnS4(CZTS), Cu2ZnGeS4(CZGS), Ag2ZnSnS4(AZTS) and Ag2ZnGeS4(AZGS) as the absorber for IBSCs by first-principles calculation. After doping Sb at Sn or Ge site, an isolated and half-filled intermediate band has been inserted in the main band gaps of all of the four Kesterite compounds, which mainly consists of Sb-s and S-p states. The absorption coefficients of the doped samples are greatly enhanced in visible light region and can cover the solar radiation spectrum effectively owing to the three-photon absorption with the help of intermediate band. Based on the calculation on defect formation energy, we have found the suitable chemical potential condition and gotten the minimums of defect formation energies for Sb doping at Sn or Ge site. Finally, Sb-doped AZTS as the promising absorber candidate for IBSCs has been proposed.
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