Magnetic order and chemical bonding in the high molecule-based cyanide magnets Ni) from first principles

Physical Review B - Condensed Matter and Materials Physics

Volumn 56, Issue 14, 1997, Pages 8959-8969

  Eyert, V ^a   Siberchicot, B ^b  

^a HAHN MEITNER INSTITUT   (Germany)

^b Centre de Limeil Valenton   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0012188962     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.56.8959     Document Type: Article

References (32)

1. O. Kahn, Molecular Magnetism (VCH, New York, 1993).
2. Magnetic Molecular Materials, edited by D. Gatteschi, O. Kahn, J. S. Miller, and F. Palacio, NATO Advanced Study Institute Series E (Kluwer, Dordrecht, 1991).
3. A. N. Holden, B. T. Matthias, P. W. Anderson, and H. W. Lewis, Phys. Rev. 102, 1463 (1956).
4. R. M. Bozorth, H. J. Williams, and D. E. Walsh, Phys. Rev. 103, 572 (1956).
5. J. M. Manriquez, G. T. Yee, R. S. McLean, A. J. Epstein, and J. S. Miller, Science 252, 1415 (1991).
6. P.-M. Allemand, K. C. Khemani, A. Koch, F. Wudl, K. Holczer, S. Donovan, G. Grüner, and J. D. Thompson, Science 253, 301 (1991).
7. B. Siberchicot, S. Jobic, V. Carteaux, P. Gressier, and G. Ouvrard, J. Phys. Chem. 100, 5863 (1996).
8. W.-D. Griebler and D. Babel, Z. Naturforsch. B 37b, 832 (1982).
9. V. Gadet, T. Mallah, I. Castro, M. Verdaguer, and P. Veillet, J. Am. Chem. Soc. 114, 9213 (1992).
10. T. Mallah, S. Ferlay, C. Auberger, C. Helary, F. L’Hermite, R. Ouahés, J. Vaissermann, M. Verdaguer, and P. Veillet, Mol. Cryst. Liq. Cryst. 273, 141 (1995).
11. T. Mallah, S. Thiébaut, M. Verdaguer, and P. Veillet, Science 262, 1554 (1993).
12. S. Ferlay, T. Mallah, R. Ouahès, P. Veillet, and M. Verdaguer, Nature (London) 378, 701 (1995).
13. B. Siberchicot, T. Mallah, and M. Verdaguer, J. Magn. Magn. Mater. 157/158, 417 (1996).
14. O. Kahn and B. Briat, J. Chem. Soc. Faraday Trans. II 72, 268 (1976).
15. O. Kahn and B. Briat, J. Chem. Soc. Faraday Trans. II 72, 1441 (1976).
16. M. R. Pederson and N. Laouini (unpublished).
17. R. Hoffmann, Solids and Surfaces: A Chemist’s View of Bonding in Extended Structures (VCH, New York, 1988).
18. V. Eyert and S. F. Matar (unpublished).
19. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
20. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
21. A. R. Williams, J. Kübler, C. D. Gelatt, Jr., Phys. Rev. B 19, 6094 (1979).
22. D. D. Koelling and B. N. Harmon, J. Phys. C 10, 3107 (1977).
23. H. Gollisch and L. Fritsche, Phys. Status Solidi B 86, 145 (1978).
24. J. Kübler and V. Eyert, in Electronic and Magnetic Properties of Metals and Ceramics, edited by K. H. J. Buschow (VCH, Verlagsgesellschaft, Weinheim, 1991), pp. 1-145;Materials Science and Technology, edited by R. W. Cahn, P. Haasen, and E. J. Kramer (VCH Verlagsgesellschaft, Weinheim, 1991-1996).
25. O. K. Andersen, Phys. Rev. B 12, 3060 (1975).
26. O. K. Andersen, A. P. Postnikov, and S. Yu. Savrasov, in Applications of Multiple Scattering Theory to Materials Science, edited by W. H. Butler, P. H. Dederichs, A. Gonis, and R. L. Weaver, MRS Symposia Proceedings No. 253 (Materials Research Society, Pittsburgh, 1992), p. 37.
27. V. Eyert (unpublished).
28. V. Eyert, J. Comput. Phys. 124, 271 (1996).
29. V. Eyert, in Density Functional Methods: Applications in Chemistry and Materials Science, edited by M. Springborg (Wiley, Chichester, 1997), pp. 233-304.
30. R. J. Jelitto J. Phys. Chem. 30, 609 (1969).
31. V. Eyert and K.-H. Höck, J. Phys.: Condens. Matter 5, 2987 (1993).
32. V. Eyert, K.-H. Höck, and P. Riseborough, Europhys. Lett. 31, 385 (1995).