Band structure of ZnO from resonant x-ray emission spectroscopy

TL;DR

This study uses resonant x-ray emission spectroscopy to investigate the electronic band structure of ZnO, confirming theoretical GW calculations and demonstrating the potential for detailed band mapping in anisotropic crystals.

Contribution

The paper combines experimental spectroscopy with GW calculations to accurately map the electronic band structure of ZnO, highlighting the role of anisotropy in band dispersion analysis.

Findings

GW calculations agree with experimental data on ZnO's band structure

Resonant x-ray emission spectra reveal band dispersion and anisotropy

Mapping of electronic bands is enhanced by crystalline anisotropy

Abstract

Soft x-ray emission and absorption spectroscopy of the O K-edge are employed to investigate the electronic structure of wurtzite ZnO(0001). A quasiparticle band structure calculated within the GW approximation agrees well with the data, most notably with the energetic location of the Zn3d - O2p hybridized state and the anisotropy of the absorption spectra. Dispersion in the band structure is mapped using the coherent k-selective part of the resonant x-ray emission spectra. We show that a more extensive mapping of the bands is possible in the case of crystalline anisotropy such as that found in ZnO.