Abstract
The electronic structure and the anisotropy of the AlN and chemical bonding of wurtzite AlN has been investigated by bulk-sensitive total fluorescence yield absorption and soft x-ray emission spectroscopies. The measured , , and x-ray emission and x-ray absorption spectra are compared with calculated spectra using first-principles density-functional theory including dipole transition matrix elements. The main and hyridization regions are identified at to and to below the top of the valence band, respectively. In addition, and hybridization regions are found at the bottom of the valence band around and , respectively. A strongly modified spectral shape of states in the emission from AlN in comparison to Al metal is found, which is also reflected in the hybridization observed in the emission. The differences between the electronic structure and chemical bonding of AlN and Al metal are discussed in relation to the position of the hybridization regions and the valence-band edge influencing the magnitude of the large band gap.
- Received 27 May 2009
DOI:https://doi.org/10.1103/PhysRevB.80.155105
©2009 American Physical Society