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Valence-band structure of InN from x-ray photoemission spectroscopy

2005; American Physical Society; Volume: 72; Issue: 24 Linguagem: Inglês

10.1103/physrevb.72.245319

1550-235X

Louis F. J. Piper, T. D. Veal, P. H. Jefferson, C. F. McConville, F. Fuchs, J. Furthmüller, F. Bechstedt, Hai Lu, W. J. Schaff,

ZnO doping and properties

The valence-band structure of clean, high-quality, single-crystalline wurtzite InN thin films prepared with atomic hydrogen is investigated using x-ray photoemission spectroscopy. The $\mathrm{In}4{d}_{5∕2}$ semicore level due to the In-N bond is found to lie $16.0\ifmmode\pm\else\textpm\fi{}0.1\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$ above the valence band maximum. Experimental valence-band spectra are compared with theoretical calculations of the valence-band density of states (VB-DOS), employing density functional theory within the local density approximation with quasiparticle and self-interaction corrections. Agreement between the experimental valence band spectrum and the theoretical VB-DOS is obtained.