A mechanism of Cu work function reduction in CsBr/Cu photocathodes

Halliday, M. T.  E.; Hess, W. P.; Shluger, A. L.

doi:10.1039/c5cp07694c

Title: A mechanism of Cu work function reduction in CsBr/Cu photocathodes

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Abstract

Thin films of CsBr deposited on Cu(100) have been proposed as next-generation photocathode materials for applications in particle accelerators and free-electron lasers. However, the mechanisms underlying an improved photocathode performance remain poorly understood. We present density Functional Theory (DFT) calculations of the work function reduction following the application of CsBr thin film coatings to Cu photocathodes. The effects of structure and van der Waals forces are examined. Calculations suggest that CsBr films can reduce the work function by around 1.5 eV, which would explain the exponential increase in quantum efficiency (QE) of coated vs. uncoated photocathodes. In conclusion, a model explaining experimentally observed laser activation of photocathode is provided whereby the photo-induced creation of di-vacancies at the surface, and their subsequent diffusion throughout the lattice and segregation at the interface leads to a further increase in QE after a period of laser irradiation.

Authors:

Halliday, M. T. E. ^[1]; Hess, W. P. ^[2]; Shluger, A. L. ^[1]

Univ. College London, London (United Kingdom)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Publication Date:: Mon Feb 15 00:00:00 EST 2016

Research Org.:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1254569

Report Number(s):: PNNL-SA-114774
Journal ID: ISSN 1463-9076; PPCPFQ; KC0301050

Grant/Contract Number:: AC05-76RL01830

Resource Type:: Accepted Manuscript

Journal Name:: Physical Chemistry Chemical Physics. PCCP (Print)

Additional Journal Information:: Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal Volume: 18; Journal Issue: 10; Journal ID: ISSN 1463-9076

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Halliday, M. T.  E., Hess, W. P., and Shluger, A. L. A mechanism of Cu work function reduction in CsBr/Cu photocathodes.  United States: N. p., 2016. 
Web.  doi:10.1039/c5cp07694c.

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                    Halliday, M. T.  E., Hess, W. P., & Shluger, A. L. A mechanism of Cu work function reduction in CsBr/Cu photocathodes.  United States.  https://doi.org/10.1039/c5cp07694c

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                    Halliday, M. T.  E., Hess, W. P., and Shluger, A. L. Mon .  
"A mechanism of Cu work function reduction in CsBr/Cu photocathodes".  United States.  https://doi.org/10.1039/c5cp07694c.  https://www.osti.gov/servlets/purl/1254569.

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@article{osti_1254569,

  title        = {A mechanism of Cu work function reduction in CsBr/Cu photocathodes},

  author       = {Halliday, M. T.  E. and Hess, W. P. and Shluger, A. L.},

  abstractNote = {Thin films of CsBr deposited on Cu(100) have been proposed as next-generation photocathode materials for applications in particle accelerators and free-electron lasers. However, the mechanisms underlying an improved photocathode performance remain poorly understood. We present density Functional Theory (DFT) calculations of the work function reduction following the application of CsBr thin film coatings to Cu photocathodes. The effects of structure and van der Waals forces are examined. Calculations suggest that CsBr films can reduce the work function by around 1.5 eV, which would explain the exponential increase in quantum efficiency (QE) of coated vs. uncoated photocathodes. In conclusion, a model explaining experimentally observed laser activation of photocathode is provided whereby the photo-induced creation of di-vacancies at the surface, and their subsequent diffusion throughout the lattice and segregation at the interface leads to a further increase in QE after a period of laser irradiation.},

  doi          = {10.1039/c5cp07694c},

  journal      = {Physical Chemistry Chemical Physics. PCCP (Print)},

  number       = 10,

  volume       = 18,

  place        = {United States},

  year         = {Mon Feb 15 00:00:00 EST 2016},

  month        = {Mon Feb 15 00:00:00 EST 2016}

}

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