Walsh, Aron ; Silva, Juarez L. F. Da ; Wei, Su-Huai ; Körber, C. ; Klein, Andreas ; Piper, L. F. J. ; DeMasi, Alex ; Smith, Kevin E. ; Panaccione, G. ; Torelli, P. ; Payne, D. J. ; Bourlange, A. ; Egdell, R. G. (2022)
Nature of the Band Gap of In₂O₃ Revealed by First-Principles Calculations and X-Ray Spectroscopy.
In: Physical Review Letters, 100 (16)
doi: 10.26083/tuprints-00021183
Article, Secondary publication, Publisher's Version
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| Item Type: | Article |
|---|---|
| Type of entry: | Secondary publication |
| Title: | Nature of the Band Gap of In₂O₃ Revealed by First-Principles Calculations and X-Ray Spectroscopy |
| Language: | English |
| Date: | 2022 |
| Place of Publication: | Darmstadt |
| Publisher: | American Physical Society |
| Journal or Publication Title: | Physical Review Letters |
| Volume of the journal: | 100 |
| Issue Number: | 16 |
| Collation: | 4 Seiten |
| DOI: | 10.26083/tuprints-00021183 |
| Corresponding Links: | |
| Origin: | Secondary publication service |
| Abstract: | Bulk and surface sensitive x-ray spectroscopic techniques are applied in tandem to show that the valence band edge for In₂O₃ is found significantly closer to the bottom of the conduction band than expected on the basis of the widely quoted bulk band gap of 3.75 eV. First-principles theory shows that the upper valence bands of In₂O₃ exhibit a small dispersion and the conduction band minimum is positioned at Γ. However, direct optical transitions give a minimal dipole intensity until 0.8 eV below the valence band maximum. The results set an upper limit on the fundamental band gap of 2.9 eV. |
| Status: | Publisher's Version |
| URN: | urn:nbn:de:tuda-tuprints-211834 |
| Classification DDC: | 500 Science and mathematics > 530 Physics 600 Technology, medicine, applied sciences > 620 Engineering and machine engineering |
| Divisions: | 11 Department of Materials and Earth Sciences > Material Science > Surface Science DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > D - Component properties > Subproject D3: Function and fatigue of oxide electrodes in organic light emitting diodes |
| Date Deposited: | 22 Apr 2022 11:11 |
| Last Modified: | 09 Feb 2023 10:39 |
| URI: | https://tuprints.ulb.tu-darmstadt.de/id/eprint/21183 |
| PPN: | 504467948 |
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