First Principles Studies of the Dielectric Properties of Cesium Hafnium Chloride (Cs2HfCl6) as a Scintillating Material

S&T Accomplishment Report · Thu Jul 11 04:00:00 EDT 2024

OSTI ID:2406238

Johnson, Aaron D. ^[1]; Reeder, Angel ^[1]; Tribble, Jalen ^[1]; Uba, Samuel ^[2]; Baker, Jonathon N. ^[2]; Duff, Martine C. ^[2]

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1. SRNL Summer Intern
2. Savannah River National Laboratory (SRNL), Aiken, SC (United States)

Cesium Hafnium Chloride or CHC is a material of interest because its inherent scintillating properties, without the need of additional doping. First principles calculations are done using the Vienna Ab Initio Simulation Package (VASP). The dielectric spectrum is rendered in VASP; this makes it possible to perform optical calculations.

• Research Organization: Savannah River National Laboratory (SRNL), Aiken, SC (United States)
• Sponsoring Organization: USDOE Office of Environmental Management (EM)
• DOE Contract Number: 89303321CEM000080
• OSTI ID: 2406238
• Report Number(s): SRNL-STI-2024-00303
• Country of Publication: United States
• Language: English