Title :
Electronic structure studies and predictions for new Ce-doped gamma detector materials
Author :
Canning, Andrew ; Chaudhry, Anurag ; Wang, Lin-Wang ; Boutchko, Rostyslav ; Derenzo, Stephen E. ; Weber, Marv J.
Author_Institution :
Lawrence Berkeley Nat. Lab., Berkeley
Abstract :
We have developed a theoretical approach based on first-principles calculations to select candidate Ce activated scintillator materials for synthesis. Our theoretical approach involves the calculation of the groundstate bandstructure of the Ce doped material as well as the calculation of the (Ce3+)* excited state. From our theoretical studies of known scintillators and non-scintillators we have developed a set of criteria that characterize bright Ce activated scintillators. Applying these criteria to new compounds we were able to successfully predict that Ba2YCl7:Ce would be a bright scintillator.
Keywords :
band structure; barium compounds; cerium; density functional theory; doping profiles; excited states; gamma-ray detection; ground states; scintillation counters; yttrium compounds; Ba2YCl7:Ce; density functional theory; electronic structure; excited state; first-principles calculations; gamma detector materials; gamma ray detection; groundstate bandstructure; scintillator materials; scintillator radiation detectors; Atomic measurements; Canning; Conducting materials; Crystalline materials; Electrons; Gamma ray detection; Gamma ray detectors; Linear discriminant analysis; Photonic band gap; Radiation detectors;
Conference_Titel :
Nuclear Science Symposium Conference Record, 2007. NSS '07. IEEE
Print_ISBN :
978-1-4244-0922-8
Electronic_ISBN :
1095-7863
DOI :
10.1109/NSSMIC.2007.4436655
