First-principles modeling shows SnV^0 ZPL redshifted by 43 nm from SnV^- and a pressure coefficient of 1.4 nm/GPa robust across methods after extrapolation to dilute limit.
The first model considers only the Kohn–Sham(KS) states in the system ground state between which the elec- tron excitation is to occur (∆KS)
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Modeling the Zero-Phonon Line of Strained SnV Centers in Diamond; Including Reflections on Computational Cost and Accuracy
First-principles modeling shows SnV^0 ZPL redshifted by 43 nm from SnV^- and a pressure coefficient of 1.4 nm/GPa robust across methods after extrapolation to dilute limit.