Journal
PHYSICAL REVIEW B
Volume 79, Issue 20, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.205205
Keywords
binding energy; cadmium compounds; density functional theory; electronic density of states; II-VI semiconductors; magnesium compounds; valence bands; wide band gap semiconductors; X-ray photoelectron spectra; zinc compounds
Funding
- Engineering and Physical Sciences Research Council, U.K. [EP/E031595/1]
- NCESS [EP/E025722/1]
- Spanish Government [MAT2007-66129]
- Deutsche Forschungsgemeinschaft [Be1346/20-1]
- EPSRC [EP/E031595/1, EP/G004447/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/E031595/1, EP/G004447/1] Funding Source: researchfish
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The valence-band density of states of single-crystalline rock-salt CdO(001), wurtzite c-plane ZnO, and rock- salt MgO(001) are investigated by high-resolution x-ray photoemission spectroscopy. A classic two-peak structure is observed in the VB-DOS due to the anion 2p-dominated valence bands. Good agreement is found between the experimental results and quasi-particle-corrected density-functional theory calculations. Occupied shallow semicore d levels are observed in CdO and ZnO. While these exhibit similar spectral features to the calculations, they occur at slightly higher binding energies, determined as 8.8 eV and 7.3 eV below the valence band maximum in CdO and ZnO, respectively. The implications of these on the electronic structure are discussed.
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