Abstract
absorption spectroscopy (XAS) and emission spectroscopy (XES) were performed to study the electronic structure of nanostructured ZnO. The band gap is determined by the combined absorption-emission spectrum. Resonantly excited XES spectra showing an energy dependence in the spectral shape reveal the selected excitations to the different , , and states in hybridization with states. The partial density of state obtained from local density approximation (LDA) and calculations are compared with the experimental results. The approach is suitable to correct LDA self-interaction error of the cation states. The atomic eigenstates of in zinc and in oxygen are energetically close, which induces the strong interaction between and states. This anomalous valence band cation-–anion- hybridization is verified by taking into account the strong localization of the states.
- Received 26 March 2004
DOI:https://doi.org/10.1103/PhysRevB.70.195325
©2004 American Physical Society