Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface

Sun, Ce; Paulauskas, Tadas; Sen, Fatih G.; Lian, Guoda; Wang, Jinguo; Buurma, Christopher; Chan, Maria K. Y.; Klie, Robert F.; Kim, Moon J.

doi:10.1038/srep27009

Title: Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface

Journal Article · Fri Jun 03 00:00:00 EDT 2016 · Scientific Reports

DOI:https://doi.org/10.1038/srep27009· OSTI ID:1307567

Sun, Ce ^[1]; Paulauskas, Tadas ^[2]; Sen, Fatih G. ^[3]; Lian, Guoda ^[1]; Wang, Jinguo ^[1]; Buurma, Christopher ^[2]; Chan, Maria K. Y. ^[3]; Klie, Robert F. ^[2]; Kim, Moon J. ^[1]

Univ. of Texas at Dallas, Richardson, TX (United States)
Univ. of Illinois at Chicago, Chicago, IL (United States)
Argonne National Lab. (ANL), Lemont, IL (United States)

Extended defects are of considerable importance in determining the electronic properties of semiconductors, especially in photovoltaics (PVs), due to their effects on electron-hole recombination. We employ model systems to study the effects of dislocations in CdTe by constructing grain boundaries using wafer bonding. Atomic-resolution scanning transmission electron microscopy (STEM) of a [1–10]/ (110) 4.8° tilt grain boundary reveals that the interface is composed of three distinct types of Lomer dislocations. Geometrical phase analysis is used to map strain fields, while STEM and density functional theory (DFT) modeling determine the atomic structure at the interface. The electronic structure of the dislocation cores calculated using DFT shows significant mid-gap states and different charge-channeling tendencies. Cl-doping is shown to reduce the midgap states, while maintaining the charge separation effects. In conclusion, this report offers novel avenues for exploring grain boundary effects in CdTe-based solar cells by fabricating controlled bicrystal interfaces and systematic atomic-scale analysis.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1307567

Journal Information:: Scientific Reports, Vol. 6; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 26 works

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