1–6 Jun 2025
Taipei International Convention Center (TICC)
Asia/Taipei timezone

Development of a density functional theory approach for calculating electronic band structure parameters in support of Monte Carlo simulations of photoemission

TUPS023
3 Jun 2025, 16:00
2h
Exhibiton Hall A _Salmon (TWTC)

Exhibiton Hall A _Salmon

TWTC

Poster Presentation MC3.T02 Electron Sources 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.

Region represented America
Paper preparation format LaTeX

Author

Joniel Mendez (Northern Illinois University)

Co-authors

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

Presentation materials

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