Ab initio molecular dynamics simulations of shocked H-He mixtures reproduce experimental reflectivity values without discontinuities at conditions where demixing was previously inferred from data.
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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.
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First-principles simulation of shocked H-He mixture along the principal Hugoniot
Ab initio molecular dynamics simulations of shocked H-He mixtures reproduce experimental reflectivity values without discontinuities at conditions where demixing was previously inferred from data.
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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.