10–15 Aug 2025
SAFE Credit Union Convention Center
America/Los_Angeles timezone

Development of a Density Functional Theory Approach for Calculating Electronic Band Structure Parameters in Support of Monte Carlo Simulations of Photoemission

TUP030
12 Aug 2025, 16:00
2h
SAFE Credit Union Convention Center

SAFE Credit Union Convention Center

1401 K St, Sacramento, CA 95814
Poster Presentation MC1 - Colliders and other Particle and Nuclear Physics Accelerators TUP: Tuesday Poster Session

Speaker

Joniel Mendez (Northern Illinois University)

Description

Monte Carlo simulations are a powerful tool for modeling photoemission from photocathodes, enabling the prediction of key parameters such as quantum efficiency, mean transverse energy, electron spin polarization, and photocathode response time. However, these simulations require material band structure parameters, which are not always available from experiments. This work aims to establish a reliable framework for calculating electronic band structure parameters using Density Functional Theory (DFT). Specifically, we apply this framework to investigate the effects of lattice strain and temperature on the electronic band structure and electron transport in GaAs. This approach will be further extended to explore band structure modifications in heavily p-doped semiconductors and to calculate electronic band structures of novel spin-polarized photocathode materials.

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Author

Joniel Mendez (Northern Illinois University)

Co-authors

John Callahan (Northern Illinois University) Luca Cultrera (Brookhaven National Laboratory) Oksana Chubenko (Northern Illinois University) Dr Ratnakar Palai (University of Puerto Rico at Río Piedras) Siddharth Karkare (Arizona State University)

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