| Zugriffsnummer | 37570 |
| Dokumenttyp | Zeitschriftenartikel |
| Peer Review | mit Peer Review |
| Sprache | Englisch |
| Titel | Optical properties of In2 O3 from experiment and first principles theory: Influence of lattice screening |
| Autor(in); Institution |
Schleife, André; Department of Materials Science and Engineering, University of Illionois at Urbana-Champaign, Urbana, USA
Neumann, Maciej D.; Leibniz-Institut für Analytische Wissenschaften – ISAS – e.V., Berlin, GERMANY
Esser, Norbert; Leibniz-Institut für Analytische Wissenschaften – ISAS – e.V., Berlin, GERMANY
Galazka, Zbigniew; Leibniz-Institut für Kristallzüchtung, Berlin, GERMANY
Gottwald, Alexander; 7.1, Radiometrie mit Synchrotronstrahlung, PTB-Berlin
Nixdorf, Jakob; Institut für Experimentelle Physik, Otto-von-Guericke Universität Magdeburg, Magdeburg, GERMANY
Goldhahn, Rüdiger; Institut für Experimentelle Physik, Otto-von-Guericke Universität Magdeburg, Magdeburg, GERMANY
Feneberg, Martin; Institut für Experimentelle Physik, Otto-von-Guericke Universität Magdeburg, Magdeburg, GERMANY
|
| Quelle/Jahr | New Journal of Physics: 20 (2018), 1 - 12 |
| Artikelnummer | 053016 |
| Availability | [online only] |
| ISSN | 1367-2630 |
| DOI | |
| Verlag | IOP |
| Freie Schlagworte | excitonic effects ; optical properties ; ellipsometry ; indium oxide ; first-principles simulations |
| Zusammenfassung | The framework of many-body perturbation theory led to deep insight into electronic structure and optical properties of diverse systems and, in particular, many semiconductors. It relies on an accurate approximation of the screened Coulomb electron–electron interactionW, that in current implementations is usually achieved by describing electronic interband transitions. However, our results for several oxide semiconductors indicate that for polar materials it is necessary to also account for lattice contributions to dielectric screening. To clarify this question in this work, we combine highly accurate experimentation and cutting-edge theoretical spectroscopy to elucidate the interplay of quasiparticle and excitonic effects for cubic bixbyite In2O3 across an unprecedentedly large photon energy range.Wethen show that the agreement between experiment and theory is excellent and, thus, validate that the physics of quasiparticle and excitonic effects is described accurately by these firstprinciples techniques, except for the immediate vicinity of the absorption onset. Finally, our combination of experimental and computational data clearly establishes the need for including a lattice contribution to dielectric screening in the screened electron–electron interaction, in order to improve the description of excitonic effects near the absorption edge. |
| Kostenfreier Zugang | Open Access Gold |
| Rechteinformation | CC BY 3.0 ; Creative Commons Attribution 3.0 License |
Zitierung
Schleife, A., Neumann, M. D., Esser, N., Galazka, Z., Gottwald, A., Nixdorf, J., Goldhahn, R., & Feneberg, M. (2018). Optical properties of In₂ O₃ from experiment and first principles theory: Influence of lattice screening. New Journal of Physics, 20, 1–12. https://doi.org/10.1088/1367-2630/aabeb0