Atomic Structure of Twin Boundaries in CdTe

Research output: Contribution to conferencePaper


Using the combination of high-resolution transmission electron microscopy, first-principles density-functional total energy calculations, and image simulations, we determined the atomic structure of lamellar twin and double-positioning twin boundaries in CdTe. We find that the structure of lamellar twin boundaries has no dangling bonds or wrong bonds; thus, it results in negligible effects on theelectronic properties. The structure of double-positioning twin boundaries, however, contain both Cd and Te dangling bonds, and therefore produce energy states in the bandgap that are detrimental to the electronic properties of CdTe.
Original languageAmerican English
Number of pages5
StatePublished - 2003
EventNational Center for Photovoltaics (NCPV) and Solar Program Review Meeting - Denver, Colorado
Duration: 24 Mar 200326 Mar 2003


ConferenceNational Center for Photovoltaics (NCPV) and Solar Program Review Meeting
CityDenver, Colorado

NREL Publication Number

  • NREL/CP-520-33518


  • applications
  • deployment
  • EE
  • energy efficiency
  • energy infrastructure
  • renewable energy (RE)
  • robustness
  • vulnerability


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