Bein, Nicole (2024)
Electronic structure of sodium niobate - Fermi energy, band gap, defects, and transport properties.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00027352
Dissertation, Erstveröffentlichung, Verlagsversion
Kurzbeschreibung (Abstract)
High-energy density capacitors are an important component of electrical power converters, which are required to invert AC- to DC-signals for, e.g. charging the batteries of electric vehicles or to feed the wind power of wind turbines into our electric grid. Antiferroelectric materials are promising candidates for such high-energy density capacitors because of their higher energy densities compared to dielectric or ferroelectric capacitors and their higher power densities in comparison to electrochemical capacitors. However, the only suitable antiferroelectric materials for these applications so far, are lead zirconate titanate (PZT) based materials. During production and recycling of these materials toxic lead-containing species are formed. In contrast, non-toxic alternatives such as silver (AN) or sodium niobate (NN) are very expensive. Hence, the demand of new non-toxic but cheap antiferroelectric materials is high.
In this work, the electronic structure of the antiferroelectric material sodium niobate is investigated. For comparison, the ferroelectric material potassium niobate (KN) is analyzed to identify possible differences, which are responsible for the (anti)ferroelectric properties of these two systems. Scanning electron microscopy (SEM) and x-ray diffraction (XRD) are used to verify the composition, crystal structure, and microstructure of the prepared ceramics. The polarization behavior with changing electric fields is examined to qualify the (anti)ferroelectric properties. In order to analyze the electronic structure including band gap and trapping states, which can confine the Fermi level, x-ray photoelectron spectroscopy (XPS) measurements in combination with different oxidizing and reducing treatments are conducted. The charge transport species and mechanisms, type of conductivity, and possible defect species present in the samples are analyzed by electric field, temperature, atmosphere, and time dependent conductivity measurements. These experiments are complemented with temperature and field dependent conductivity measurements while recording XP-spectra. With these results a first model explaining the electronic structures of sodium and potassium niobate is postulated. Next steps to verify this model are proposed. Therefore, this work provides the basis for further investigations examining the connection between the electronic structure and the antiferroelectric properties to predict new, cheap, and non-toxic antiferroelectric materials.
Typ des Eintrags: | Dissertation | ||||
---|---|---|---|---|---|
Erschienen: | 2024 | ||||
Autor(en): | Bein, Nicole | ||||
Art des Eintrags: | Erstveröffentlichung | ||||
Titel: | Electronic structure of sodium niobate - Fermi energy, band gap, defects, and transport properties | ||||
Sprache: | Englisch | ||||
Referenten: | Klein, Prof. Dr. Andreas ; Frömling, Dr. Till | ||||
Publikationsjahr: | 3 Juni 2024 | ||||
Ort: | Darmstadt | ||||
Kollation: | xii, 292 Seiten | ||||
Datum der mündlichen Prüfung: | 22 Februar 2024 | ||||
DOI: | 10.26083/tuprints-00027352 | ||||
URL / URN: | https://tuprints.ulb.tu-darmstadt.de/27352 | ||||
Kurzbeschreibung (Abstract): | High-energy density capacitors are an important component of electrical power converters, which are required to invert AC- to DC-signals for, e.g. charging the batteries of electric vehicles or to feed the wind power of wind turbines into our electric grid. Antiferroelectric materials are promising candidates for such high-energy density capacitors because of their higher energy densities compared to dielectric or ferroelectric capacitors and their higher power densities in comparison to electrochemical capacitors. However, the only suitable antiferroelectric materials for these applications so far, are lead zirconate titanate (PZT) based materials. During production and recycling of these materials toxic lead-containing species are formed. In contrast, non-toxic alternatives such as silver (AN) or sodium niobate (NN) are very expensive. Hence, the demand of new non-toxic but cheap antiferroelectric materials is high. In this work, the electronic structure of the antiferroelectric material sodium niobate is investigated. For comparison, the ferroelectric material potassium niobate (KN) is analyzed to identify possible differences, which are responsible for the (anti)ferroelectric properties of these two systems. Scanning electron microscopy (SEM) and x-ray diffraction (XRD) are used to verify the composition, crystal structure, and microstructure of the prepared ceramics. The polarization behavior with changing electric fields is examined to qualify the (anti)ferroelectric properties. In order to analyze the electronic structure including band gap and trapping states, which can confine the Fermi level, x-ray photoelectron spectroscopy (XPS) measurements in combination with different oxidizing and reducing treatments are conducted. The charge transport species and mechanisms, type of conductivity, and possible defect species present in the samples are analyzed by electric field, temperature, atmosphere, and time dependent conductivity measurements. These experiments are complemented with temperature and field dependent conductivity measurements while recording XP-spectra. With these results a first model explaining the electronic structures of sodium and potassium niobate is postulated. Next steps to verify this model are proposed. Therefore, this work provides the basis for further investigations examining the connection between the electronic structure and the antiferroelectric properties to predict new, cheap, and non-toxic antiferroelectric materials. |
||||
Alternatives oder übersetztes Abstract: |
|
||||
Status: | Verlagsversion | ||||
URN: | urn:nbn:de:tuda-tuprints-273526 | ||||
Sachgruppe der Dewey Dezimalklassifikatin (DDC): | 500 Naturwissenschaften und Mathematik > 500 Naturwissenschaften 500 Naturwissenschaften und Mathematik > 530 Physik |
||||
Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Elektronenstruktur von Materialien |
||||
Hinterlegungsdatum: | 03 Jun 2024 11:17 | ||||
Letzte Änderung: | 04 Jun 2024 05:42 | ||||
PPN: | |||||
Referenten: | Klein, Prof. Dr. Andreas ; Frömling, Dr. Till | ||||
Datum der mündlichen Prüfung / Verteidigung / mdl. Prüfung: | 22 Februar 2024 | ||||
Export: | |||||
Suche nach Titel in: | TUfind oder in Google |
Frage zum Eintrag |
Optionen (nur für Redakteure)
Redaktionelle Details anzeigen |