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| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 04998nam a2200457 4500 | |
| 001 | oai:DiVA.org:liu-173108 | |
| 003 | SwePub | |
| 008 | 210208s2021 | |||||||||||000 ||eng| | |
| 020 | a 9789179297305q print | |
| 024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-1731082 URI |
| 024 | 7 | a https://doi.org/10.3384/diss.diva-1731082 DOI |
| 040 | a (SwePub)liu | |
| 041 | a engb eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a vet2 swepub-contenttype |
| 072 | 7 | a dok2 swepub-publicationtype |
| 100 | 1 | a Davidsson, Joel,d 1989-u Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,Materials Design and Informatics unit4 aut0 (Swepub:liu)joeda01 |
| 245 | 1 0 | a Color Centers in Semiconductors for Quantum Applications :b A High-Throughput Search of Point Defects in SiC |
| 264 | 1 | a Linköping :b Linköping University Electronic Press,c 2021 |
| 300 | a 72 s. | |
| 338 | a electronic2 rdacarrier | |
| 520 | a Point defects in semiconductors have been and will continue to be relevant for applications. Shallow defects realize transistors, which power the modern age of information, and in the not-too-distant future, deep-level defects could provide the foundation for a revolution in quantum information processing. Deep-level defects (in particular color centers) are also of interest for other applications such as a single photon emitter, especially one that emits at 1550 nm, which is the optimal frequency for long-range communication via fiber optics.First-principle calculations can predict the energies and optical properties of point defects. I performed extensive convergence tests for magneto-optical properties, such as zero phonon lines, hyperfine coupling parameters, and zero-field splitting for the four different configurations of the divacancy in 4H-SiC. Comparing the converged results with experimental measurements, a clear identification of the different configurations was made. With this approach, I also identified all configurations for the silicon vacancy in 4H-SiC as well as the divacancy and silicon vacancy in 6H-SiC. The same method was further used to identify two additional configurations belonging to the divacancy present in a 3C stacking fault inclusion in 4H-SiC. I extended the calculated properties to include the transition dipole moment which provides the polarization, intensity, and lifetime of the zero phonon lines. When calculating the transition dipole moment, I show that it is crucial to include the self-consistent change of the electronic orbitals in the excited state due to the geometry relaxation. I tested the method on the divacancy in 4H-SiC, further strengthening the previous identification and providing accurate photoluminescence intensities and lifetimes.Finding stable point defects with the right properties for a given application is a challenging task. Due to the vast number of possible point defects present in bulk semiconductor materials, I designed and implemented a collection of automatic workflows to systematically investigate any point defects. This collection is called ADAQ (Automatic Defect Analysis and Qualification) and automates every step of the theoretical process, from creating defects to predicting their properties. Using ADAQ, I screened about 8000 intrinsic point defect clusters in 4H-SiC. This thesis presents an overview of the formation energy and the most relevant optical properties for these single and double point defects. These results show great promise for finding new color centers suitable for various quantum applications. | |
| 650 | 7 | a NATURVETENSKAPx Fysikx Den kondenserade materiens fysik0 (SwePub)103042 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Physical Sciencesx Condensed Matter Physics0 (SwePub)103042 hsv//eng |
| 653 | a point defects | |
| 653 | a color centers | |
| 653 | a high-throughput | |
| 653 | a photoluminescence | |
| 653 | a zero phonon line | |
| 653 | a SiC | |
| 700 | 1 | a Abrikosov, Igor A.,c Professor,d 1965-u Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten4 ths0 (Swepub:liu)igoab43 |
| 700 | 1 | a Armiento, Rickard,c Associate Professor,d 1976-u Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten4 ths0 (Swepub:liu)ricar47 |
| 700 | 1 | a Ivády, Viktor,c PhD,d 1986-u Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten4 ths0 (Swepub:liu)vikiv58 |
| 700 | 1 | a Galli, Giulia,c Professoru Department of Chemistry, University of Chicago, USA4 opn |
| 710 | 2 | a Linköpings universitetb Teoretisk Fysik4 org |
| 856 | 4 | u https://doi.org/10.3384/diss.diva-173108y Fulltext |
| 856 | 4 | u https://liu.diva-portal.org/smash/get/diva2:1526688/FULLTEXT01.pdfx primaryx Raw objecty fulltext |
| 856 | 4 | u https://liu.diva-portal.org/smash/get/diva2:1526688/PREVIEW01.pngx Previewy preview image |
| 856 | 4 | u http://liu.diva-portal.org/smash/get/diva2:1526688/FULLTEXT01 |
| 856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-173108 |
| 856 | 4 8 | u https://doi.org/10.3384/diss.diva-173108 |
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