Chemical trends of defect formation and doping limit in II-VI semiconductors: The case of CdTe

Su-Huai Wei and S. B. Zhang
Phys. Rev. B 66, 155211 – Published 31 October 2002
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Abstract

Using first-principles band structure methods we studied the general chemical trends of defect formation in II-VI semiconductors. We systematically calculated the formation energies and transition energy levels of intrinsic and extrinsic defects and defect complexes in the prototype CdTe and investigated the limiting factors for p-type and n-type doping in this material. Possible approaches to significantly increase the doping limits are discussed. Our general understanding of the chemical trends of defect formation energies and transition energy levels in CdTe is expected to be applicable also to other II-VI semiconductors.

  • Received 30 May 2002

DOI:https://doi.org/10.1103/PhysRevB.66.155211

©2002 American Physical Society

Authors & Affiliations

Su-Huai Wei and S. B. Zhang

  • National Renewable Energy Laboratory, Golden, Colorado 80401

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Issue

Vol. 66, Iss. 15 — 15 October 2002

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