Electronic structure and bonding in cerium (nitride) compounds: Trivalent versus tetravalent cerium

Chemistry - A European Journal

Volumn 5, Issue 2, 1999, Pages 515-522

  Landrum, Gregory A ^a   Dronskowski, Richard ^a   Niewa, Rainer ^b   DiSalvo, Francis J ^b  

^a RWTH AACHEN UNIVERSITY   (Germany)

^b Department of Molecular Biology and Genetics   (United States)

Author keywords

Cerium; Density functional calculations; Nitrides; Oxidation state; Solid state chemistry

Indexed keywords

CERIUM;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BINDING; CHEMICAL REACTION; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; STRUCTURE ANALYSIS;

EID: 0032970594     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3765(19990201)5:2<515::AID-CHEM515>3.0.CO;2-Y     Document Type: Article

References (34)

1. R. Niewa, G. V. Vajenine, F.J. DiSalvo, H. Luo, W. B. Yelon, Z. Naturforsch. B 1998, 53, 1.
2. G. L. Olcese, J. Phys. F: Metal Phys. 1979, 9, 569.
3. O. K. Andersen, Phys. Rev. B 1975, 12, 3060.
4. H. L. Skriver, The LMTO Method, Springer, Berlin, 1984.
5. O. K. Andersen, in The Electronic Structure of Complex Systems (Eds.:P. Phariseau, W. M. Temmerman), Plenum, 1984.
6. O. K. Andersen, C. Arcangeli, R. W. Tank, T. Saha-Dasgupta, G. Krier, O. Jepsen, I. Dasgupta, in Tight-Binding Approach to Computational Materials Science, number 491 in MRS Symposia Proceedings, MRS, Pittsburgh, 1998.
7. J. Korringa, Physica 1947 ,13, 392.
8. W. Kohn, N. Rostoker, Phys. Rev. 1954, 94, 1111.
9. P. Hohenberg, W. Kohn, Phys. Rev. B 1964, 136, 864.
10. W. Kohn, L. J. Sham, Phys. Rev. A 1965, 140, 1133.
11. U. von Barth, L. Hedin, J. Phys. C 1972, 5, 1629.
12. P.E. Blöchl, O. Jepsen, O.K. Andersen, Phys. Rev. B 1994, 49, 16223.
13. O. K. Andersen, O. Jepsen, Phys. Rev. Lett. 1984, 53, 2571.
14. G. Krier, O. Jepsen, A. Burkhardt, O. K. Andersen, TB-LMTO-ASA program, version 4. 7.
15. R. Dronskowski, P. E. Blöchl, J. Phys. Chem. 1993, 97, 8617.
16. T. Hughbanks, R. Hoffmann, J. Am. Chem. Soc. 1983, 105, 3528.
17. R. Hoffmann, Solids and Surfaces: A Chemist's View of Bonding in Extended Structures, VCH, Weinheim, 1988.
18. W. H. Zachariasen, Acta Crystallogr. 1948, 1, 265.
19. R. D. Shannon, C. T. Prewitt, Acta Crystallogr. B 1969, 25, 925.
20. R. D. Shannon, Acta Crystallogr. A 1976, 32, 751.
21. T. Kojima, T. Inoue, T. Ishiyama, J. Electrochem. Soc. Japan 1951, 19, 383.
22. A. K. Cheetham, B. E. F. Fender, H. Fuess, A. F. Wright, Acta Crystallogr. B 1976, 32, 94.
23. H. J. Whitfield, D. Roman, A. R. Palmer, J. Inorg. Nuc. Chem. 1966, 28, 2817.
24. P. Stecher, A. Neckel, F. Benesowski, H. Nowotny, Planseeber. Pulvermetall. 1964, 12, 181.
25. D. Halot, J. Flahaut, C. R. Hebd. Seances Acad. Sci. Ser. C 1971, 272, 465.
26. A. E. Maslout, J. P. Motte, A. Courtois, C. Gleitzer, C. R. Hebd. Seances Acad. Sci. Ser. C 1975, 280, 21.
27. N. N. Greenwood, A. Earnshaw, Chemistry of the Elements, Pergamon, New York, 1984.
28. For a recent comprehensive theoretical study of the magnetic properties of the Ce pnictides under pressure, see: A. Svane, Z. Szotek, W. M. Temmerman, H. Winter, Solid. State Commun. 1997, 102, 473.
29. H. Bartholin, D. Florence, G. Parisot, J. Paureau, O. Vogt, Phys. Lett. A 1977, 60, 47.
30. A. Delin, P. M. Oppeneer, M. S. S. Brooks, T. Kraft, J. M. Wills, B. Johansson, O. Eriksson, Phys. Rev. B 1997, 55, 10173.
31. P. Söderlind, O. Eriksson, B. Johansson, J. M. Wills, Phys. Rev. B 1995, 52, 13169.
32. P. Ravindran, L. Nordström, R. Ahuja, J. M. Wills, B. Johansson, O. Eriksson, Phys. Rev. B 1998, 57, 2091.
33. K. Yamaguchi, H. Namatame, A. Fujimori, T. Koide, T. Shidara, M. Nakamura, A. Misu, H. Fukutani, M. Yuri, M. Kasaya, H. Suzuki, T. Kasuya, Phys. Rev. B 1995, 51, 13952.
34. A. Yaouanc, P. Dalmas de Réotier, J. P. Sanchez, T. Tschentscher, P. Lejay, Phys. Rev. B 1998, 57, 681.