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cond-mat.mtrl-sci2026
First-principles calculation of electron-phonon spectral functions for defects using phonon interpolation
Zoltan Santha, Gergo Thiering
Point defects in wide-band-gap semiconductors exhibit optical spectra strongly shaped by electron-phonon coupling, but direct first-principles calculation of the corresponding phon…
cond-mat.mtrl-sci2026
Unraveling the electronic structure of silicon vacancy centers in 4H-SiC
Ali Tayefeh Younesi, Minh Tuan Luu, Christopher Linderälv +7
Point defects in silicon carbide (SiC), particularly the negatively-charged silicon vacancy () in 4H-SiC, are leading candidates for scalable quantum technolog…
cond-mat.mtrl-sci2025
Exe.py: Ab initio fine structure parameters for trigonal defect qubits within the Ee Jahn-Teller case
Balazs Toth, Adam Gali, Gergo Thiering
Trigonal solid-state defects are often subjects of spontaneous symmetry breaking driven by the Jahn-Teller effect, reflecting strong electron-phonon coupling. These sy…