Bein, Nicole (2024)
Electronic structure of sodium niobate - Fermi energy, band gap, defects, and transport properties.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00027352
Ph.D. Thesis, Primary publication, Publisher's Version
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Item Type: | Ph.D. Thesis | ||||
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Type of entry: | Primary publication | ||||
Title: | Electronic structure of sodium niobate - Fermi energy, band gap, defects, and transport properties | ||||
Language: | English | ||||
Referees: | Klein, Prof. Dr. Andreas ; Frömling, Dr. Till | ||||
Date: | 3 June 2024 | ||||
Place of Publication: | Darmstadt | ||||
Collation: | xii, 292 Seiten | ||||
Date of oral examination: | 22 February 2024 | ||||
DOI: | 10.26083/tuprints-00027352 | ||||
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. |
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Status: | Publisher's Version | ||||
URN: | urn:nbn:de:tuda-tuprints-273526 | ||||
Classification DDC: | 500 Science and mathematics > 500 Science 500 Science and mathematics > 530 Physics |
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Divisions: | 11 Department of Materials and Earth Sciences > Material Science 11 Department of Materials and Earth Sciences > Material Science > Electronic Structure of Materials (ESM) |
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Date Deposited: | 03 Jun 2024 11:17 | ||||
Last Modified: | 12 Jun 2024 06:15 | ||||
URI: | https://tuprints.ulb.tu-darmstadt.de/id/eprint/27352 | ||||
PPN: | 518981088 | ||||
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