Dear Experts
I am calculating optical properties of organic perovskite material by using quantum espresso 6.1. The calculated optical constants are not exactly matched with available literatures. Because in my case, the band gap energy is 3.2 eV but my absorption co-efficient graph shows peaks in the energy region 1-3 eV too, but maximum absorption occurs in the energy region 8-10 eV. But, If a photon having equal or greater energy than the band gap energy would be absorbed. Now my question is why the absorption happened below the band gap energy? Is there any offset value? Should we shift the default energy values? Thanks and Regards Sudha Priyanka Assistant Professor Lady Doak College Madurai, Tamilnadu-625001 India.
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