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| URL | https://doi.org/10.18429/JACoW-NAPAC2025-TUP030 |
|---|---|
| Title | Density functional theory approach for calculating electronic band structure parameters for Monte Carlo simulations of photoemission |
| Authors |
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| Abstract | 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. |
| Paper | download: TUP030.pdf |
| Cite | BibTeX, LaTeX, Text/Word, RIS, EndNote |
| Conference | 6th North American Particle Accel. Conf. (NAPAC2025) |
| Series | |
| Location | Sacramento, CA, USA |
| Date | 10-15 Aug 2025 |
| Publisher | JACoW Publishing, Geneva, Switzerland |
| Editorial Board | Tor O. Raubenheimer (SLAC), Roark A. Marsh (LLNL), Eric Prebys (UC Davis), Ling Wang (MSU), Petr M. Anisimov (LANL), Kip Bishofberger (LANL), Gustavo Bruno (ANL), Zhichu Chen (SARI), Jan Chrin (PSI), Kelly Jaje (ANL), Jaeyu Lee (POSTECH), Magdalena Montes-Loera (SLAC), Mary Saethre (PHENOTYPE), Tasha Summers (SLAC), Kent Wootton (ANL) |
| Online ISBN | 978-3-95450-261-5 |
| Online ISSN | 2673-7000 |
| Received | 07 August 2025 |
| Revised | 10 August 2025 |
| Accepted | 11 August 2025 |
| Issued | 28 January 2026 |
| DOI | 10.18429/JACoW-NAPAC2025-TUP030 |
| Pages | 422-425 |
| Copyright | Published by JACoW Publishing under the terms of the Creative Commons Attribution 4.0 license. Any further distribution of this work must maintain attribution to the author(s), the published article's title, publisher, and DOI. |