TL;DRAbstract
Presented at the 2001 NCPV Program Review Meeting: A theoretical study of the doping limits of CdTe. First-principles total energy and band structure calculations are performed to understand the factors that limit doping in CdTe. We calculated systematically the formation energies and transition energy levels of intrinsic and extrinsic defects. We find that n-type doping in CdTe is limited by the spontaneous formation of the intrinsic closed shell cation vacancy V{sub Cd}{sup 2-} and DX centers, whereas p-type doping is limited by not having a dopant with both high solubility and shallow acceptor level.
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Presented at the 2001 NCPV Program Review Meeting: A theoretical study of the doping limits of CdTe. First-principles total energy and band structure calculations are performed to understand the factors that limit doping in CdTe. We calculated systematically the formation energies and transition energy levels of intrinsic and extrinsic defects. We find that n-type doping in CdTe is limited by the spontaneous formation of the intrinsic closed shell cation vacancy V{sub Cd}{sup 2-} and DX centers, whereas p-type doping is limited by not having a dopant with both high solubility and shallow acceptor level.
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