Speaker
Description
Photoemission for semiconductor photocathodes can be predicted by calculating required crystal parameters with ab initio Density Functional Theory (DFT) and using them to simulate photoexcitation, transport, and transmission of electrons into vacuum with a Monte Carlo model. This method allows detailed study of the fundamental mechanisms governing photoemission, such as stoichiometry and scattering events, which are recognized but not well understood. It is well known that standard DFT calculations tend to underestimate the material band gap, a key parameter for accurate photoemission modeling. In this work, we investigate different approaches to improve band-gap predictions. Results presented in this work demonstrate that stoichiometric variation can be successfully implemented into the DFT/Monte Carlo process and support previous experimental data that Cs-deficient Cs3Sb has a slightly lower emission threshold and slightly increased quantum efficiency (QE).
| Working group | WG5 |
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