Monte Carlo simulation of electron thermalization in scintillator materials: Implications for scintillator nonproportionality
Abstract
The lack of reliable quantitative estimates of the length and time scales associated with hot electron thermalization after a gammaray induced energy cascade obscures the interplay of various microscopic processes controlling scintillator performance and hampers the search for improved detector materials. We apply a detailed microscopic kinetic Monte Carlo model of the creation and subsequent thermalization of hot electrons produced by gamma irradiation of six important scintillating crystals to determine the spatial extent of the cloud of excitations produced by gamma rays and the time required for the cloud to thermalize with the host lattice. The main ingredients of the model are ensembles of microscopic track structures produced upon gamma excitation (including the energy distribution of the excited carriers), numerical estimates of electronphonon scattering rates, and a calculated particle dispersion to relate the speed and energy of excited carriers. All these ingredients are based on firstprinciples density functional theory calculations of the electronic and phonon band structures of the materials. The details of the Monte Carlo model are presented along with the results for thermalization time and distance distributions. Here, these results are discussed in light of previous work. It is found that among the studied materials, calculated thermalization distancesmore »
 Authors:
 Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
 Univ. of Michigan, Ann Arbor, MI (United States)
 Publication Date:
 Research Org.:
 Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
 Sponsoring Org.:
 USDOE
 OSTI Identifier:
 1415294
 Report Number(s):
 PNNLSA128275
Journal ID: ISSN 00218979
 Grant/Contract Number:
 AC0576RL01830
 Resource Type:
 Journal Article: Accepted Manuscript
 Journal Name:
 Journal of Applied Physics
 Additional Journal Information:
 Journal Volume: 122; Journal Issue: 23; Journal ID: ISSN 00218979
 Publisher:
 American Institute of Physics (AIP)
 Country of Publication:
 United States
 Language:
 English
 Subject:
 73 NUCLEAR PHYSICS AND RADIATION PHYSICS
Citation Formats
Prange, Micah P., Xie, YuLong, Campbell, Luke W., Gao, Fei, and Kerisit, Sebastien. Monte Carlo simulation of electron thermalization in scintillator materials: Implications for scintillator nonproportionality. United States: N. p., 2017.
Web. doi:10.1063/1.4998966.
Prange, Micah P., Xie, YuLong, Campbell, Luke W., Gao, Fei, & Kerisit, Sebastien. Monte Carlo simulation of electron thermalization in scintillator materials: Implications for scintillator nonproportionality. United States. doi:10.1063/1.4998966.
Prange, Micah P., Xie, YuLong, Campbell, Luke W., Gao, Fei, and Kerisit, Sebastien. 2017.
"Monte Carlo simulation of electron thermalization in scintillator materials: Implications for scintillator nonproportionality". United States.
doi:10.1063/1.4998966.
@article{osti_1415294,
title = {Monte Carlo simulation of electron thermalization in scintillator materials: Implications for scintillator nonproportionality},
author = {Prange, Micah P. and Xie, YuLong and Campbell, Luke W. and Gao, Fei and Kerisit, Sebastien},
abstractNote = {The lack of reliable quantitative estimates of the length and time scales associated with hot electron thermalization after a gammaray induced energy cascade obscures the interplay of various microscopic processes controlling scintillator performance and hampers the search for improved detector materials. We apply a detailed microscopic kinetic Monte Carlo model of the creation and subsequent thermalization of hot electrons produced by gamma irradiation of six important scintillating crystals to determine the spatial extent of the cloud of excitations produced by gamma rays and the time required for the cloud to thermalize with the host lattice. The main ingredients of the model are ensembles of microscopic track structures produced upon gamma excitation (including the energy distribution of the excited carriers), numerical estimates of electronphonon scattering rates, and a calculated particle dispersion to relate the speed and energy of excited carriers. All these ingredients are based on firstprinciples density functional theory calculations of the electronic and phonon band structures of the materials. The details of the Monte Carlo model are presented along with the results for thermalization time and distance distributions. Here, these results are discussed in light of previous work. It is found that among the studied materials, calculated thermalization distances are positively correlated with measured nonproportionality. In the important class of halide scintillators, the particle dispersion is found to be more influential than the largest phonon energy in determining the thermalization distance.},
doi = {10.1063/1.4998966},
journal = {Journal of Applied Physics},
number = 23,
volume = 122,
place = {United States},
year = 2017,
month =
}

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