| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Ivády, Viktor
Linköping University
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (16/16 displayed)
- 2024High-field/high-frequency electron spin resonances of Fe-doped <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>β</mml:mi><mml:mtext>−</mml:mtext><mml:msub><mml:mrow><mml:mi>Ga</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:math> by terahertz generalized ellipsometry: Monoclinic symmetry effectscitations
- 2024High-field/high-frequency electron spin resonances of Fe-doped β-Ga2 O3 by terahertz generalized ellipsometry : Monoclinic symmetry effectscitations
- 2023Isotope-Purification-Induced Reduction of Spin-Relaxation and Spin-Coherence Times in Semiconductorscitations
- 2023Symmetric carbon tetramers forming spin qubits in hexagonal boron nitridecitations
- 2021Dipolar spin relaxation of divacancy qubits in silicon carbidecitations
- 2020Stone–Wales defects in hexagonal boron nitride as ultraviolet emitterscitations
- 2020Stone-Wales defects in hexagonal boron nitride as ultraviolet emitterscitations
- 2019Stabilization of point-defect spin qubits by quantum wellscitations
- 2018First principles predictions of magneto-optical data for semiconductor point defect identification: the case of divacancy defects in 4H-SiCcitations
- 2018First principles calculation of spin-related quantities for point defect qubit researchcitations
- 2017Hybrid-DFT + V-w method for band structure calculation of semiconducting transition metal compounds: the case of cerium dioxidecitations
- 2016Development of theoretical approaches for post-silicon information processing
- 2016First Principles Identification of Divacancy Related Photoluminescence Lines in 4H and 6H-SiCcitations
- 2015Theoretical model of dynamic spin polarization of nuclei coupled to paramagnetic point defects in diamond and silicon carbidecitations
- 2014Theoretical Investigation of the Single Photon Emitter Carbon Antisite-Vacancy Pair in 4H-SiCcitations
- 2013Role of screening in the density functional applied to transition-metal defects in semiconductorscitations
Places of action
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article
First Principles Identification of Divacancy Related Photoluminescence Lines in 4H and 6H-SiC
Abstract
<jats:p>Nowadays, computational techniques can greatly facilitate the identification of point defect related photoluminescence and EPR centers in semiconductors. Once the identification has been achieved, one can gain a detailed description of the microstructure and the electron configuration of the defect, providing a basis for further understanding and development. Recently, the importance of divacancy and related point defects in different polytypes of SiC has substantially increased due to their possible quantum bit application. However, their different configurations have not been satisfactorily identified yet. In our study, we carry out large-scale first principles supercell calculations to identify the divacancy related point defects in 4H and 6H-SiC. By resolving some general accuracy issues of usual <jats:italic>ab initio</jats:italic> supercell techniques, we are able to obtain convergent photoluminescence (PL) energies, zero-field-splitting, and hyperfine parameters. Our results confirm the previous assignment of the PL1-4 PL lines in 4H-SiC (also known as UD-2 luminescence lines previously) to the four possible divacancy configurations and provide the identification of QL1,QL2, and QL6 PL lines in 6H-SiC. In all cases the calculated zero-field and hyperfine tensors’ parameters are provided.</jats:p>