Single-crystal structures, optical absorptions, and electronic distributions of thorium oxychalcogenides ThOQ (Q = S, Se, Te)

Inorganic Chemistry

Volumn 51, Issue 15, 2012, Pages 8112-8118

  Koscielski, Lukasz A ^a   Ringe, Emilie ^a   Van Duyne, Richard P ^a   Ellis, Donald E ^a   Ibers, James A ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84864623588     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic300510x     Document Type: Article

References (36)

1. Jin, G. B.; Raw, A. D.; Skanthakumar, S.; Haire, R. G.; Soderholm, L.; Ibers, J. A. J. Solid State Chem. 2010, 183, 547-550
2. Trzebiatowski, W.; Niemiec, J.; Sepichowska, A. Bull. Acad. Pol. Sci., Ser. Sci. Chim. 1961, 9, 373-377
3. Marcon, J.-P. C. R. Seances Acad. Sci., Ser. C 1967, 265, 235-237
4. Gorum, A. E. Acta Crystallogr. 1957, 10, 144
5. Amoretti, G.; Calestani, G.; Giori, D. C. Z. Naturforsch. A: Phys. Phys. Chem. Kosmophys. 1984, 39, 778-782
6. D'Eye, R. W. M. J. Chem. Soc. 1953, 75, 1670-1672
7. Graham, J.; McTaggart, F. K. Aust. J. Chem. 1960, 13, 67-73
8. Zachariasen, W. H. Acta Crystallogr. 1949, 2, 291-296
9. D'Eye, R. W. M.; Sellman, P. G.; Murray, J. R. J. Chem. Soc. 1952, 74, 2555-2562
10. Beck, H. P.; Dausch, W. Z. Anorg. Allg. Chem. 1989, 571, 162-164
11. Eastman, E. D.; Brewer, L.; Bromley, L. A.; Gilles, P. W.; Lofgren, N. L. J. Am. Chem. Soc. 1951, 73, 3896-3898
12. Boelsterli, H. U.; Hulliger, F. J. Mater. Sci. 1968, 3, 664-665
13. Gensini, M.; Gering, E.; Benedict, U.; Gerward, L.; Staun, O. J.; Hulliger, F. J. Less-Common Met. 1991, 171, L9-L12
14. Amoretti, G.; Giori, D. C.; Varacca, V.; Spirlet, J. C.; Rebizant, J. Phys. Rev. B 1979, 20, 3573-3578
15. Amoretti, G.; Blaise, A.; Collard, J. M.; Hall, R. O. A.; Mortimer, M. J.; Troc, R. J. Magn. Magn. Mater. 1984, 46, 57-67
16. Witt, R. H.; Nylin, J.; McCullough, H. M. A Study of the Hydride Process for Producing Thorium Powder; United States Atomic Energy Commission, Atomic Energy Division, Sylvania Electric Products, Inc.: Bayside, NY, 1956.
17. Bruker APEX2 Version 2009.5-1 and SAINT version 7.34a Data Collection and Processing Software; Bruker Analytical X-Ray Instruments, Inc.: Madison, WI, 2009.
18. Bruker SMART Version 5.054 Data Collection and SAINT-Plus Version 6.45a Data Processing Software for the SMART System; Bruker Analytical X-Ray Instruments, Inc.: Madison, WI, 2003.
19. Sheldrick, G. M. Acta Crystallogr., Sect. A: Found. Crystallogr. 2008, 64, 112-122
20. Gelato, L. M.; Parthé, E. J. Appl. Crystallogr. 1987, 20, 139-143
21. Brese, N. E.; O'Keeffe, M. Acta Crystallogr., Sect. B: Struct. Sci. 1991, 47, 192-197
22. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 47, 558-561
23. Kresse, G.; Hafner, J. Phys. Rev. B 1994, 49, 14251-14271
24. Kresse, G.; Forthmüller, J. Comput. Mater. Sci. 1996, 6, 15-50
25. Kresse, G.; Furthmüller, J. Phys. Rev. B 1996, 54, 11169-11186
26. Kresse, G.; Joubert, D. Phys. Rev. B 1999, 59, 1758-1775
27. Perdew, J. P. In Electronic Structure of Solids; Ziesche, P.; Eschrig, H., Eds.; Akademie Verlag: Berlin, Germany, 1991; pp 11-20.
28. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188-5192
29. Hubbard, J. Proc. R. Soc. London, Ser. A 1963, 276, 238-257
30. Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.; Humphreys, C. J.; Sutton, A. P. Phys. Rev. B 1998, 57, 1505-1509
31. Henkelman, G.; Arnaldsson, A.; Jónsson, H. Comput. Mater. Sci. 2006, 36, 354-360
32. Sanville, E.; Kenny, S. D.; Smith, R.; Henkelman, G. J. Comput. Chem. 2007, 28, 899-908
33. Bader, R. F. W. Atoms in molecules: a quantum theory; Oxford University Press, Inc.: New York, 1990.
34. Shannon, R. D. Acta Crystallogr., Sect. A: Cryst. Phys. Diffr. Theor. Gen. Crystallogr. 1976, 32, 751-767
35. Taylor, D. Br. Ceram. Trans. J. 1984, 83, 32-37
36. Tougait, O.; Potel, M.; Noël, H. Inorg. Chem. 1998, 37, 5088-5091