First-principles studies and predictions of scintillation in Ce-doped materials

IEEE Transactions on Nuclear Science

Volumn 56, Issue 3, 2009, Pages 944-948

  Canning, Andrew ^a   Boutchko, Rostyslav ^a   Chaudhry, Anurag ^a   Derenzo, Stephen E ^a  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

Cerium doped; First principles; Scintillators

Indexed keywords

DOPED MATERIALS; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GROUND-STATE BAND; SCINTILLATOR MATERIALS; SCINTILLATORS; THEORETICAL APPROACH; THEORETICAL STUDY;

BARIUM; CERIUM COMPOUNDS; IONIZATION; LUMINESCENCE; PHOSPHORS; SCINTILLATION; SCINTILLATION COUNTERS; SOLID STATE PHYSICS;

CERIUM;

EID: 67649220859     PISSN: 00189499     EISSN: None     Source Type: Journal    
DOI: 10.1109/TNS.2009.2019645     Document Type: Article

References (16)

1. Powder Diffraction File, International Center for Diffraction Data, Newtown Square, PA 2006 [Online]. Available: http://www.icdd.com/
2. Inorganic Crystal Structure Database, Fachinformationszentrum Karlsruhe, Germany 2007 [Online]. Available: http://icsdweb.fiz-karlsruhe.de
3. S. E. Derenzo, M. S. Boswell, E. Bourret-Courchesne, R. Boutchko, T. F. Budinger, A. Canning, S. M. Hanrahan, M. Janecek, Q. Peng, Y. Porter-Chapman, J. Powell, C. A. Ramsey, S. E. Taylor, L.-W. Wang, M. J. Weber, and D. S. Wilson, "Design and implementation of a facility for discovering new scintillator materials," IEEE Trans. Nucl. Sci., vol. 55, no. 3, pp. 1458-1463, Jun. 2008.
4. P. Hohenberg and W. Kohn, "Inhomogenous electron gas," Phys. Rev. B, vol. 136, pp. 864-871, 1964.
5. W. Kohn and L. J. Sham, "Self-consistent equations including exchange and correlation effects," Phys. Rev. A, vol. 140, pp. 1133-1138, 1965.
6. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, "Iterative minimization techniques for ab initio total-energy calculations - Molecular-dynamics and conjugate gradients," Rev. Modern Phys., vol. 64, pp. 1045-1097, Oct. 1992.
7. 3+ scintillators: Experiment and model," Phys. Rev. B, vol. 75, May 2007.
8. 3," Phys. Rev. B, vol. 61, p. 24, Jun. 2000.
9. 4: Stokes shift and pseudo Jahn-Teller effect," Phys. Rev. B, vol. 76, p. 075124, 2007.
10. M. Klintenberg, M. J. Weber, C. Dujardin, O. Eriksson, and S. E. Derenzo, "Band structure calculations of cerium activated inorganic scintillators," Radiat. Effects Defects Solids, vol. 154, no. 3, p. 231, 2001.
11. The most comprehensive compilation of publicly available information about scintillation detector materials known to the authors is provided [Online]. Available: http://scintillator.lbl.gov/
12. 3+," Nucl. Instrum. Meth. Phys. Res. A, vol. 537, p. 22, 2005.
13. X. Gonze, J. M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G. M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, P. Ghosez, J. Y. Raty, and D. C. Allan, "First-principles computation of material properties: The ABINIT software project," Comput. Mater. Sci., vol. 25, pp. 478-492, Nov. 2002.
14. A. Chaudhry, A. Canning, R. Boutchko, Y. Porter-Chapman, E. Bourret-Courchesne, S. E. Derenzo, and N. Grønbech-Jensen, "First principles calculations for scintillation in Ce-doped Y and La oxy-halides," IEEE Trans. Nucl. Sci., to be published.
15. R. Boutchko, A. Canning, A. Chaudhry, R. Borade, E. Bourret-Courchesne, and S. E. Derenzo, "Cerium activation in Yttrium halides: First principles theory and prediction," IEEE Trans. Nucl. Sci., to be published.
16. A. Canning, A. Chaudhry, L.-W. Wang, R. Boutchko, S. E. Derenzo, and M. Weber, "Electronic structure studies and predictions for new Ce-doped gamma detector materials," in Proc. IEEE Nuclear Science Symp. Conf. Rec., 2007, vol. 2007, pp. 2466-2468.