Theoretical analysis of non-radiative multiphonon recombination activity of intrinsic defects in CdTeстатья
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Аннотация:We present an analysis of recombination activity of intrinsic defects (V_Cd, Te_Cd, V_Te, Te_i) in CdTe based on the multiphonon single-mode carrier-capture model, with vibronic parameters obtained using hybrid density functional theory. This analysis allows us to determine the defects and the corresponding electronic processes that have high trapping rates for electrons, for holes, or for both. The latter, being potentially the most active recombination centers, decrease the carrier lifetime in the absorber layer of a CdTe solar cell. Taking into account the relatively high calculated capture cross-sections of the Te_Cd antisite defect (σ = 8.7·10^-15 cm^2 for electron capture on Te_Cd^+2 defect, σ = 6.8·10^-14 cm^2 for hole capture on TeCd^+1 defect at room temperature) and its deep trapping level (0.41 eV for +2/+1 level), we conclude that this defect is the most active recombination center among the intrinsic defects in p-type CdTe. Other processes that do not lead to effective recombination are: (i) fast hole capture on Te_i^+1 defect (σ = 1.1·10^-13 cm^2), (ii) electron capture on Te_Cd^+1 defect (σ = 2.9·10^-15 cm^2), (iii) somewhat slower hole capture on Te_Cd^0 defect (σ = 9.4·10^-20 cm^2), (iv) hole capture on V_Cd-1 defect (σ = 7·10^-19 cm^2), and (v) electron capture on Te_i+1 defect (σ = 4.4·10^-19 cm^2). The cross-sections are found to be negligibly small for the remaining capture processes. (C) 2016 AIP Publishing LLC.