Kinetic Monte Carlo Model of Scintillation Mechanisms in CsI and CsI(Tl)

Journal Article · Sun Jun 01 04:00:00 EDT 2008 · IEEE Transactions on Nuclear Science, 55(3 Pt. 2):1251-1258

DOI:https://doi.org/10.1109/TNS.2008.922830· OSTI ID:937031

Kerisit, Sebastien N; Rosso, Kevin M; Cannon, Bret D

We have developed a computational model of energy transfer processes in scintillators using the kinetic Monte Carlo (KMC) approach. In this publication, we focus on the alkali halide compound CsI both pure and doped with a range of thallium concentrations. The KMC model makes use of an explicit atomistic representation of the crystal lattice, activator sites, defect sites, and individual electron-hole pairs. The probability of individual diffusion, recombination, and scintillation events is calculated from rate equations parameterized with data published in the literature. Scintillation decay curves, relative intensities of emission peaks, and light yields are computed and found to be in good agreement with experimental data for a range of temperatures and thallium concentrations. This demonstrates that the KMC scintillation model is capable of reproducing both the kinetics and the efficiency of the scintillation process in CsI. In addition, novel predictions emerge from our simulations such as the diffusion distance distributions of self-trapped holes and excitons. Finally, the KMC scintillation model provides a framework for probing possible physical processes responsible for the nonlinear relationship between scintillation light yield and incident gamma-ray energy.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 937031
• Report Number(s): PNNL-SA-55917
• Journal Information: IEEE Transactions on Nuclear Science, 55(3 Pt. 2):1251-1258, Journal Name: IEEE Transactions on Nuclear Science, 55(3 Pt. 2):1251-1258 Journal Issue: 3 Pt.2 Vol. 55; ISSN 0018-9499; ISSN IETNAE
• Country of Publication: United States
• Language: English

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
CRYSTAL LATTICES
DECAY
DEFECTS
DIFFUSION
EFFICIENCY
ENERGY TRANSFER
EXCITONS
HALIDES
KINETICS
PHOSPHORS
PROBABILITY
RECOMBINATION
SCINTILLATIONS
THALLIUM
alkali halides
cesium iodide
thallium
kinetic Monte Carlo
emission spectra
gamma-ray radiation
light yield
scintillation decay curves
scintillation mechanisms