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Theoretical Analyses of Spin Exchange Interactions in Extended Magnetic Solids Containing Several Unpaired Spins per Spin Site

Published online by Cambridge University Press:  18 March 2011

D. Dai ,
H.-J. Koo  and
M.-H. Whangbo
D. Dai
Affiliation:
Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695-8204
H.-J. Koo
Affiliation:
Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695-8204
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Abstract

For extended magnetic solids containing several unpaired spins per spin site, we reviewed briefly recent progress in quantitative and qualitative methods of describing their spin exchange interactions on the basis of electronic structure calculations for their spin dimers.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 658: Symposium GG – Solid-State Chemistry of Inorganic Materials III , 2000 , GG5.3
Copyright
Copyright © Materials Research Society 2001

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References

REFERENCES

1. Kahn, O., Molecular Magnetism (VCH, Weinheim, 1993).Google Scholar
2. Haldane, F. D. M., Phys. Lett. 93A, 464 (1983); Phys. Rev. Lett. 50, 1153 (1983).Google Scholar
3. Narumi, Y., Hagiwara, M., Sato, R., Kindo, K., Nakano, H. and Takahashi, M., Physica B 246–247, 509 (1998).Google Scholar
4. Oshikawa, M., Yamanaka, M. Affleck, I., Phys. Rev. Lett. 78, 1984 (1997).Google Scholar
5. Dai, D. and Whangbo, M.-H., J. Chem. Phys., in press.Google Scholar
6. Koo, H.-J., Whangbo, M.-H., Coste, S. and Jobic, S., J. Solid State Chem., in press.Google Scholar
7 Illas, F., de, I. Moreira, P.R, Graaf, C. de, and Barone, V., Theoret. Chem. Accts. 104, 265 (2000), and the References cited therein.Google Scholar
8. Noodleman, L., J. Chem. Phys. 74, 5737 (1981).Google Scholar
9. Lee, K.-S., Koo, H.-J. and Whangbo, M.-H., Inorg. Chem. 38, 2199 (1999).Google Scholar
10 Koo, H.-J. and Whangbo, M.-H., Solid State Commun. 111, 353 (1999).Google Scholar
11. Whangbo, M.-H., Koo, H.-J. and Lee, K.-S., Solid State Commun. 114, 27 (2000).Google Scholar
12. Koo, H.-J. and Whangbo, M.-H., J. Solid State Chem. 151, 96 (2000).Google Scholar
13. Whangbo, M.-H. and Koo, H.-J., Solid State Commun. 115, 115 (2000).Google Scholar
14. Koo, H.-J. and Whangbo, M.-H., J. Solid State Chem. 153, 263 (2000).Google Scholar
15. Koo, H.-J. and Whangbo, M.-H., Inorg. Chem. 39, 3599 (2000).Google Scholar
16. Hay, P. J., Thibeault, J. C. and Hoffmann, R., J. Am. Chem. Soc. 97, 4884 (1975).Google Scholar
17. Kahn, O. and Briat, B., J. Chem. Soc. Faraday Trans. II 72, 268 (1976).Google Scholar
18. Charlot, M. F. and Kahn, O., Nouv. J. Chim. 4, 567 (1980).Google Scholar
19. Amsterdam Density Functional (ADF 2.01) program.(Theoretical Chemistry, Vrije Universiteit, Amsterdam, 1995).Google Scholar
20. Núñez, P. and Roisnel, T., J. Solid State Chem. 124, 338 (1996), and the References cited therein.Google Scholar
21. Hoffmann, R., J. Chem. Phys. 39, 1397 (1963).Google Scholar
22.Our calculations were carried out by employing the CAESAR program package (Ren, J., Liang, W. and Whangbo, M.-H., Crystal and Electronic Structure Analysis Using CAESAR, 1998, http://www.PrimeC.com/).Google Scholar
23.For example, see: Chartier, A., D'Arco, P., Dovesi, R. and Saunders, V. R., Phys. Rev. B, 1999, 20, 14042.Google Scholar
24. Whangbo, M.-H., Theoret. Chem. Accts. 103, 252 (2000).Google Scholar
25. Hoffmann, R., Chem. Eng. News 52, 32 (1974) (No. 30, July 29).Google Scholar