Symmetry-breaking-induced enhancement of visible light absorption in delafossite alloys

M N Huda, Y F Yan, Aron Walsh, S H Wei, M M Al-Jassim

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18 Citations (SciVal)


Through density functional theory calculations, we demonstrate that enhancement of optical absorption and optimization of the fundamental band gap for Cu delafossites can be achieved through alloying group IIIA and IIIB delafossites. These alloys significantly improved the flexibility in designing delafossite-based photoelectrodes for application in photoelectrochemical decomposition of water by visible spectra of solar light.
Original languageEnglish
Article number251907
JournalApplied Physics Letters
Issue number25
Publication statusPublished - 2009


  • optical
  • energy gap
  • wave basis-set
  • hydrogen generation
  • density functional theory
  • metals
  • spontaneous symmetry breaking
  • semiconductors
  • constants
  • total-energy calculations
  • visible spectra
  • copper compounds


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