Experimental and theoretical comparison of Sb, As, and P diffusion mechanisms and doping in CdTe

Colegrove, E.; Yang, J-H; Harvey, S. P.; Young, M. R.; Burst, J. M.; Duenow, J. N.; Albin, D. S.; Wei, S-H; Metzger, W. K.

doi:10.1088/1361-6463/aaa67e

Title: Experimental and theoretical comparison of Sb, As, and P diffusion mechanisms and doping in CdTe

Journal Article · 29 January 2018 · Journal of Physics. D, Applied Physics

DOI: https://doi.org/10.1088/1361-6463/aaa67e · OSTI ID:1417286

^[1]; Yang, J-H ^[2]; Harvey, S. P. ^[2]; Young, M. R. ^[2]; Burst, J. M. ^[2]; Duenow, J. N. ^[2]; Albin, D. S. ^[2]; Wei, S-H ^[3]; Metzger, W. K. ^[2]

National Renewable Energy Lab. (NREL), Golden, CO (United States); Beijing Computational Science Research Center, (China)
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Beijing Computational Science Research Center, (China)

Fundamental material doping challenges have limited CdTe electro-optical applications. In this work, the As atomistic diffusion mechanisms in CdTe are examined by spatially resolving dopant incorporation in both single-crystalline and polycrystalline CdTe over a range of experimental conditions. Density-functional theory calculations predict experimental activation energies and indicate As diffuses slowly through the Te sublattice and quickly along GBs similar to Sb. Because of its atomic size and associated defect chemistry, As does not have a fast interstitial diffusion component similar to P. Experiments to incorporate and activate P, As, and Sb in polycrystalline CdTe are conducted to examine if ex-situ Group V doping can overcome historic polycrystalline doping limits. The distinct P, As, and Sb diffusion characteristics create different strategies for increasing hole density. Because fast interstitial diffusion is prominent for P, less aggressive diffusion conditions followed by Cd overpressure to relocate the Group V element to the Te lattice site is effective. For larger atoms, slower diffusion through the Te sublattice requires more aggressive diffusion, however further activation is not always necessary. Based on the new physical understanding, we have obtained greater than 10^16 cm^-3 hole density in polycrystalline CdTe films by As and P diffusion.

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Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office

Grant/Contract Number:: AC36-08GO28308

OSTI ID:: 1417286

Report Number(s):: NREL/JA-5K00-68501

Journal Information:: Journal of Physics. D, Applied Physics, Vol. 51, Issue 7; ISSN 0022-3727

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 46 works

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