Electronic structure, optical properties, and bonding in alkaline-earth halofluoride scintillators: BaClF, BaBrF, and BaIF

Physical Review B - Condensed Matter and Materials Physics

Volumn 83, Issue 16, 2011, Pages

  Yedukondalu, N ^a   Babu, K Ramesh ^a   Bheemalingam, Ch ^a   Singh, David J ^b   Vaitheeswaran, G ^a   Kanchana, V ^c  

^a UNIVERSITY OF HYDERABAD   (India)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c INDIAN INSTITUTE OF TECHNOLOGY HYDERABAD   (India)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79961113281     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.165117     Document Type: Article

References (55)

1. L. Pauling, The Nature of the Chemical Bond and the Structure of Molecules and Crystals: An Introduction to Modern Structural Chemistry, 3rd ed. (Cornell University Press, Ithaca, 1960).
2. G. Knoll, Radiation Detection and Measurement, 3rd ed. (Wiley, New York, 2000).
3. F. Hulliger, Structural Chemistry of Layer Type Phases (Reidel, Dordecht, 1975), p. 258.
4. R. W. G. Wyckoff, Crystal Structures, 2nd ed., Vol. 2 (Wiley Interscience, New York, 1964).
5. H. P. Beck, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(76) 90132-8 17, 275 (1976).
6. K. Govinda Rajan and A. Jestin Lenus, Pramana PRAMCI 0304-4289 10.1007/BF02898620 65, 323 (2005).
7. H. von Seggern, T. Voigt, W. Knupfeer, and G. Lange, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.341838 64, 1405 (1998).
8. M. K. Crawford, L. H. Brixner, and K. Somaiah, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.344037 66, 3758 (1989).
9. K. Takahashi, J. Miyahara, and Y. Shibahara, J. Electrochem. Soc. 0013-4651 10.1149/1.2114149 132, 1492 (1985).
10. H. Riesen and W. A. Kaczmarek, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic062455g 46, 7235 (2007).
11. Y. R. Shen, T. Gregorian, and W. B. Holzapfel, High Press. Res. 0895-7959 10.1080/08957959108245510 7, 73 (1991).
12. P. Comodi and P. F. Znazzi, J. Appl. Crystallogr. JACGAR 0021-8898 10.1107/S0021889893006120 26, 843 (1993).
13. H. P. Beck, A. Limmer, W. Denner, and H. Schulz, Acta Crystallogr. B ASBSDK 0108-7681 10.1107/S0108768183002633 38, 401 (1983).
14. H. P. Beck, Z. Anorg. Allg. Chem. ZAACAB 0044-2313 10.1002/zaac. 19794590107 459, 72 (1979).
15. B. Sundarakkannan, R. Kesavamoorthy, J. A. Nisha, V. Sridharan, and T. Sivakumar, Phys. Rev. B ZAACAB 1098-0121 10.1103/PhysRevB.57.11632 57, 11632 (1998).
16. Y. Dossmann, R. Kuentzler, M. Sieskind, and D. Ayachour, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(89)90120-8 72, 377 (1989). (Pubitemid 20623157)
17. K. Somaiah and V. H. Babu, Indian J. Pure Appl. Phys. 14, 702 (1976).
18. Y. R. Shen, U. Englisch, L. Chudinovskikh, F. Porsch, R. Haberkon, H. P. Beck, and W. B. Holzapfel, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/6/17/009 6, 3197 (1994).
19. N. Subramanian, N. V. Chandrashekar, P. C. Sahu, M. Yousuf, and K. G. Rajan, Phys. Rev. B JCOMEL 1098-0121 10.1103/PhysRevB.58.R555 58, R555 (1998).
20. F. Decremps, M. Fischer, A. Polian, J. P. Itie, and M. Sieskind, Phys. Rev. B JCOMEL 1098-0121 10.1103/PhysRevB.59.4011 59, 4011 (1999).
21. F. Decremps, M. Fischer, A. Polian, and M. Sieskind, Eur. Phys. J. B EPJBFY 1434-6028 10.1007/s116511750412 5, 7 (1998).
22. R. Mittal, S. L. Chaplot, A. Sen, S. N. Achary, and A. K. Tyagi, Phys. Rev. B EPJBFY 1098-0121 10.1103/PhysRevB.67.134303 67, 134303 (2003).
23. G. Kalpana, B. Palanivel, I. B. Shameem Banu, and M. Rajagopalan, Phys. Rev. B EPJBFY 1098-0121 10.1103/PhysRevB.56.3532 56, 3532 (1997).
24. T. Kurobori, Y. Hirose, and M. Takeuchi, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/(SICI)1521-3951(200008)220:23.0. CO;2-4 220, R11 (2000).
25. F. El haj Hassan, H. Akbarzadeh, S. J. Hashemifar, and A. Mokhtari, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/j.jpcs.2004.07.002 65, 1871 (2004).
26. V. D'Anna, L. M. L. Daku, H. Hagemann, and F. Kubel, Phys. Rev. B JPCSAW 1098-0121 10.1103/PhysRevB.82.024108 82, 024108 (2010).
27. M. Laval, M. Mosszynski, R. Allemand, E. Cormoreche, P. Guinet, R. Odru, and J. Vacher, Nucl. Instrum. Methods Phys. Res. NIMRD9 0167-5087 10.1016/0167-5087(83)91254-1 206, 169 (1983). (Pubitemid 13558942)
28. C. L. Woody, P. W. Levy, and J. A. Kierstead, IEEE Trans. Nucl. Sci. IETNAE 0018-9499 10.1109/23.34497 36, 536 (1989).
29. E. D. Bourret-Courchesne, G. Bizarri, S. M. Hanrahan, G. Gundiah, Z. Yan, and S. E. Derenzo, Nucl. Instrum. Methods Phys. Res. NIMAER 0168-9002 10.1016/j.nima.2009.11.036 613, 95 (2010).
30. D. J. Singh and L. Nordstrom, Planewaves, Pseudopotentials, and the LAPW Method, 2nd ed. (Springer Verlag, Berlin, 2006).
31. P. Blaha, K. Schwarz, G. Madsen, D. Kvasnicka, and J. Luitz, WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties (K. Schwarz, Tech. Univ. Wien, Austria, 2001).
32. D. Singh, Phys. Rev. B NIMAER 1098-0121 10.1103/PhysRevB.43.6388 43, 6388 (1991).
33. R. Kesavamoorthy, G. V. N. Rao, B. Sundarakkannan, G. Ghosh, and V. S. Sastry, Powder Diffraction 12, 255 (1997).
34. H. P. Beck, Z. Anorg. Allg. Chem. ZAACAB 0044-2313 10.1002/zaac. 19794510112 451, 73 (1979).
35. B. W. Liebich and D. Nicollin, Acta Crystallogr. B ACBCAR 0567-7408 10.1107/S0567740877009480 33, 2790 (1977).
36. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
37. F. Tran and P. Blaha, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.226401 102, 226401 (2009).
38. D. J. Singh, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.82.155145 82, 155145 (2010).
39. D. J. Singh, Phys. Rev. B PRLTAO 1098-0121 10.1103/PhysRevB.82.205102 82, 205102 (2010).
40. V. Milman, B. Winkler, J. A. White, C. J. Pickard, M. C. Payne, E. V. Akhmatskaya, and R. H. Nobes, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/(SICI)1097-461X(2000)77:5<895::AID-QUA10>3.0.CO;2-C 77, 895 (2000).
41. M. D. Segall, P. J. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, and M. C. Payne, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/301 14, 2717 (2002). (Pubitemid 34288361)
42. D. Vanderbilt, Phys. Rev. B JCOMEL 1098-0121 10.1103/PhysRevB.41.7892 41, 7892 (1990).
43. J. P. Perdew and A. Zunger, Phys. Rev. B JCOMEL 1098-0121 10.1103/PhysRevB.23.5048 23, 5048 (1981).
44. C. Filippi, D. J. Singh, and C. J. Umrigar, Phys. Rev. B JCOMEL 1098-0121 10.1103/PhysRevB.50.14947 50, 14947 (1994).
45. Z. Wu, R. E. Cohen, and D. J. Singh, Phys. Rev. B JCOMEL 1098-0121 10.1103/PhysRevB.70.104112 70, 104112 (2004).
46. A. Janotti, S. H. Wei, and D. J. Singh, Phys. Rev. B JCOMEL 1098-0121 10.1103/PhysRevB.64.174107 64, 174107 (2001).
47. M. J. Mehl, J. E. Osburn, D. A. Papaconstantopoulos, and B. M. Klein, Phys. Rev. B JCOMEL 1098-0121 10.1103/PhysRevB.41.10311 41, 10311 (1990).
48. F. Decremps, M. Fischer, A. Polian, and M. Sieskind, High Temp. High Press. HTHPAK 0018-1544 10.1068/htec152 30, 235 (1998).
49. M. Sieskind, A. Pollian, M. Fischer, and F. Decremps, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/S0022-3697(97)00106-6 59, 75 (1998).
50. M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Oxford University Press, Oxford, 1998).
51. R. Hill, Proc. Phys. Soc. London, Sect. A PPSAAM 0370-1298 10.1088/0370-1298/65/5/307 65, 349 (1952).
52. S. F. Pugh, Philos. Mag. 45, 823 (1954).
53. D. J. Singh, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2936079 92, 201908 (2008). (Pubitemid 351733874)
54. A. Lempicki, C. Brecher, H. Lingertat, and V. K. Sarin, US Patent No. 6 967 330 (22 November 2000).
55. S. R. Podowitz, R. M. Gaume, W. T. Hong, A. Laouar, and R. S. Feigelson, IEEE Trans. Nucl. Sci. 57, 3827 (2010).