Electronic structure, spin couplings, and hyperfine properties of nanoscale molecular magnets

Physical Review B - Condensed Matter and Materials Physics

Volumn 59, Issue 10, 1999, Pages 6927-6937

  Zeng, Z ^a   Guenzburger, Diana ^b   Ellis, D E ^c  

^a INSTITUTE OF SOLID STATE PHYSICS   (China)

^b CENTRO BRASILEIRO DE PESQUISAS FÍSICAS   (Brazil)

^c NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000607563     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.59.6927     Document Type: Article

References (47)

1. G. Blondin and J. J. Girerd, Chem. Rev., 90, 1359, (1990), and references therein.
2. A. Caneschi, D. Gatteschi, and R. Sessoli, J. Chem. Soc. Dalton Trans., 1997, 3963, (1997), and references therein.
3. T. G. St. Pierre, P. Chan, K. R. Bauchspiess, J. Webb, S. Betteridge, S. Walton, and D. P. E. Dickson, Coord. Chem. Rev., 151, 125, (1996).
4. J. M. A. Smith and J. R. Helliwell, Inorg. Chim. Acta, 106, 193, (1985).
5. S. Mann, J. V. Bannister, and R. J. P. Williams, J. Mol. Biol., 188, 225, (1986).
6. G. C. Papaefthymiou, Phys. Rev. B, 46, 10 366, (1992).
7. A. K. Powell, S. L. Heath, D. Gatteschi, L. Pardi, R. Sessoli, G. Spina, F. Del Giallo, and F. Pieralli, J. Am. Chem. Soc., 117, 2491, (1995).
8. D. D. Awschalom and D. P. DiVincenzo, Phys. Today, 48, (4), 43, (1995).
9. D. D. Awschalom, D. P. DiVincenzo, and J. F. Smyth, Science, 258, 414, (1992).
10. Science, D. Gatteschi, A. Caneschi, L. Pardi, and R. Sessoli, 265, 1054, (1994).
11. D. N. Hendrickson, G. Christou, E. A. Schmitt, E. Libby, J. S. Bashkin, S. Wang, H.-L. Tsai, J. B. Vincent, P. D. W. Boyd, J. C. Huffman, K. Folting, Q. Li, and W. E. Streib, J. Am. Chem. Soc., 114, 2455, (1992).
12. E. A. Schmitt, L. Noodleman, E. J. Baerends, and D. N. Hendrickson, J. Am. Chem. Soc., 114, 6109, (1992).
13. X. G. Zhao, W. H. Richardson, J.-L. Chen, J. Li, L. Noodleman, H.-L. Tsai, and D. N. Hendrickson, Inorg. Chem., 36, 1198, (1997).
14. T. Lis, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 36, 2042, (1980).
15. A. Caneschi, D. Gatteschi, R. Sessoli, A. L. Barra, L. C. Brunel, and M. Guillot, J. Am. Chem. Soc., 113, 5873, (1991).
16. R. Sessoli, H.-L. Tsai, A. R. Schake, S. Wang, J. B. Vincent, K. Folting, D. Gatteschi, G. Christou, and D. N. Hendrickson, J. Am. Chem. Soc., 115, 1804, (1993).
17. R. Sessoli, D. Gatteschi, A. Caneschi, and M. A. Novak, Nature (London), 365, 141, (1993).
18. A. Lascialfari, D. Gatteschi, F. Borsa, A. Shastri, Z. Jang, and P. Carretta, Phys. Rev. B, 57, 514, (1998).
19. P. A. Reynolds, E. P. Gilbert, and B. N. Figgis, Inorg. Chem., 35, 545, (1996).
20. M. Hennion, L. Pardi, I. Mirebeau, E. Suard, R. Sessoli, and A. Caneschi, Phys. Rev. B, 56, 8819, (1997).
21. M. R. Cheesman, V. S. Oganesyan, R. Sessoli, D. Gatteschi, and A. J. Thomson, Chem. Commun. (Cambridge), 1997, 1677, (1997).
22. A. L. Barra, D. Gatteschi, and R. Sessoli, Phys. Rev. B, 56, 8192, (1997).
23. J. R. Friedman, M. P. Sarachik, J. Tejada, and R. Ziolo, Phys. Rev. Lett., 76, 3830, (1996).
24. F. Lionti, L. Thomas, R. Ballou, B. Barbara, A. Sulpice, R. Sessoli, and D. Gatteschi, J. Appl. Phys., 81, 4608, (1997).
25. S. M. Gorun, G. C. Papaefthymiou, R. B. Frankel, and S. J. Lippard, J. Am. Chem. Soc., 109, 3337, (1987).
26. Z. Zeng, Y. Duan, and D. Guenzburger, Phys. Rev. B, 55, 12 522, (1997).
27. G. S. Painter and D. E. Ellis, Phys. Rev. B, 1, 4747, (1970).
28. D. E. Ellis, Int. J. Quantum Chem., 2S, 35, (1968).
29. A. Rosén, D. E. Ellis, H. Adachi, and F. W. Averill, J. Chem. Phys., 65, 3629, (1976).
30. D. E. Ellis and D. Guenzburger, Adv. Quant. Chem. (to be published).
31. R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
32. Density Functional Theory of Molecules, Clusters and Solids, edited by D. E. Ellis (Kluwer Academic, Dordrecht, 1995).
33. V. A. Gubanov and D. E. Ellis, Phys. Rev. Lett., 44, 1633, (1980).
34. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys., 58, 1200, (1980).
35. A. H. Stroud, Approximate Calculation of Multiple Integrals (Prentice Hall, Englewood Cliffs, NJ, 1971).
36. R. S. Mulliken, J. Chem. Phys., 23, 1833, (1955).
37. J. Chem. Phys., R. S. Mulliken, 23, 1841, (1955).
38. B. Delley and D. E. Ellis, J. Chem. Phys., 76, 1949, (1982).
39. M. Battocletti, H. Ebert, and H. Akai, Phys. Rev. B, 53, 9776, (1996).
40. P.-L. Cao, D. E. Ellis, and A. J. Freeman, Phys. Rev. B, 25, 2124, (1982).
41. J. C. Slater, The Self-Consistent Field for Molecules and Solids (McGraw-Hill, New York, 1974), Vol. IV.
42. E. A. Schmitt, L. Noodleman, E. J. Baerends, and D. N. Hendrickson, J. Am. Chem. Soc., 114, 6109, (1992).
43. X. G. Zhao, W. H. Richardson, J.-L. Chen, J. Li, L. Noodleman, H.-L. Tsai, and D. N. Hendrickson, Inorg. Chem., 36, 1198, (1997).
44. J. B. Goodenough, Phys. Rev., 100, 564, (1955).
45. N. N. Greenwood and R. C. Gibb, Mössbauer Spectroscopy (Chapman and Hall, London, 1971).
46. J. Terra and D. Guenzburger, J. Chem. Phys., 99, 4935, (1995).
47. P. Dufek, P. Blaha, and K. Schwarz, Phys. Rev. Lett., 75, 3545, (1995).