The PHS method combines dense-k GGA optical functions with hybrid-functional energy shifts and sum-rule amplitude corrections to produce absorption-coefficient spectra that match experiment for GaAs, InP, CdTe, CuInSe2 and Cu2ZnGeSe4.
The DFT methods for optical-function calculation have already been established [5-9] and a vast amount of optical spectra deduced from DFT calculations have been reported [1 -15]
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Highly accurate prediction of material optical properties based on density functional theory
The PHS method combines dense-k GGA optical functions with hybrid-functional energy shifts and sum-rule amplitude corrections to produce absorption-coefficient spectra that match experiment for GaAs, InP, CdTe, CuInSe2 and Cu2ZnGeSe4.