First-principles optical response of shock-compressed LiF: Quasiparticle, excitonic, and ionic-temperature effects

We investigate the refractive index $n$ of LiF using DFT+G$_0$W$_0$+BSE, with ionic-temperature effects included through QMD.

We investigate the refractive index $n$ of LiF using DFT+G$_0$W$_0$+BSE, with ionic-temperature effects included through QMD. We calculate photon-energy dispersions $n(ω)$ and $k(ω)$ at ambient pressure and $n(ρ,T)$ at 532 and 1550 nm under shock compression, where $ρ$ and $T$…