Relaxation and surface states on wurtzite cleavage faces: CdSe(101»0)

Y. R. Wang, C. B. Duke, A. Paton, K. Stiles, A. Kahn

Research output: Contribution to journalArticlepeer-review

13 Scopus citations


A sp3 tight-binding model is utilized to predict the atomic geometry and electronic structure of (101»0) surface of wurtzite-structure CdSe. The model predicts a bond-rotation relaxation in the uppermost few atomic layers resulting in a displacement of top layer Se relative to Cd of 0.78 normal to the surface, and a surface bound state near the top of the valence band. Analyses of low-energy electron diffraction intensity data and ultraviolet photoemission spectra confirm these predictions.

Original languageEnglish (US)
Pages (from-to)9406-9409
Number of pages4
JournalPhysical Review B
Issue number17
StatePublished - 1987

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics


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