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Volumn 123, Issue 4, 2005, Pages

Density-functional study of two Fe 4 -based single-molecule magnets

Author keywords

[No Author keywords available]

Indexed keywords

IRON IONS; MAGNETIC ANISOTROPY ENERGY (MAE); MOLECULAR CLUSTERS; SINGLE-MOLECULE MAGNET (SMM);

EID: 23844521637     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1961367     Document Type: Article
Times cited : (30)

References (38)
  • 2
    • 0028070391 scopus 로고
    • D. Gatteschi, A. Caneschi, L. Pardi, and R. Sessoli, Science 0036-8075 10.1038/365141a0 265, 1054 (1994); D. D. Awschalom and D. P. Di Vincenzo, Phys. Today 0031-9228 48, 43 (1995); H. J. Eppley, H. L. Tsai, N. de Vries, K. Folting, G. Christou, and D. N. Hendrickson, J. Am. Chem. Soc. 117, 301 (1995).
    • (1994) Science , vol.265 , pp. 1054
    • Gatteschi, D.1    Caneschi, A.2    Pardi, L.3    Sessoli, R.4
  • 3
    • 11944262407 scopus 로고
    • D. Gatteschi, A. Caneschi, L. Pardi, and R. Sessoli, Science 0036-8075 10.1038/365141a0 265, 1054 (1994); D. D. Awschalom and D. P. Di Vincenzo, Phys. Today 0031-9228 48, 43 (1995); H. J. Eppley, H. L. Tsai, N. de Vries, K. Folting, G. Christou, and D. N. Hendrickson, J. Am. Chem. Soc. 117, 301 (1995).
    • (1995) Phys. Today , vol.48 , pp. 43
    • Awschalom, D.D.1    Di Vincenzo, D.P.2
  • 5
    • 0027912953 scopus 로고
    • R. Sessoli, D. Gatteschi, A. Caneschi, and M. A. Novak, Nature (London) 0028-0836 10.1038/365141a0 365, 141 (1993); J. Friedman, M. P. Sarachik, J. Tejada, J. Maciejewski, and R. Ziolo, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.76.3830 76, 3820 (1996); L. Thomas, F. Lionti, R. Ballou, D. Gatteschi, R. Sessoli, and B. Barbara, Nature (London) 383, 145 (1996).
    • (1993) Nature (London) , vol.365 , pp. 141
    • Sessoli, R.1    Gatteschi, D.2    Caneschi, A.3    Novak, M.A.4
  • 6
    • 2642512023 scopus 로고    scopus 로고
    • R. Sessoli, D. Gatteschi, A. Caneschi, and M. A. Novak, Nature (London) 0028-0836 10.1038/365141a0 365, 141 (1993); J. Friedman, M. P. Sarachik, J. Tejada, J. Maciejewski, and R. Ziolo, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.76.3830 76, 3820 (1996); L. Thomas, F. Lionti, R. Ballou, D. Gatteschi, R. Sessoli, and B. Barbara, Nature (London) 383, 145 (1996).
    • (1996) Phys. Rev. Lett. , vol.76 , pp. 3820
    • Friedman, J.1    Sarachik, M.P.2    Tejada, J.3    MacIejewski, J.4    Ziolo, R.5
  • 7
    • 0029809123 scopus 로고    scopus 로고
    • R. Sessoli, D. Gatteschi, A. Caneschi, and M. A. Novak, Nature (London) 0028-0836 10.1038/365141a0 365, 141 (1993); J. Friedman, M. P. Sarachik, J. Tejada, J. Maciejewski, and R. Ziolo, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.76.3830 76, 3820 (1996); L. Thomas, F. Lionti, R. Ballou, D. Gatteschi, R. Sessoli, and B. Barbara, Nature (London) 383, 145 (1996).
    • (1996) Nature (London) , vol.383 , pp. 145
    • Thomas, L.1    Lionti, F.2    Ballou, R.3    Gatteschi, D.4    Sessoli, R.5    Barbara, B.6
  • 10
    • 0000331259 scopus 로고
    • T. Lis, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 0567-7408 10.1107/S0567740880007893 36, 2042 (1980); A. Caneschi, D. Gatteschi, R. Sessoli, A.-L. Barra, L.-C. Brunel, and M. Guillot, J. Am. Chem. Soc. 113, 5873 (1991).
    • (1980) Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. , vol.36 , pp. 2042
    • Lis, T.1
  • 12
    • 0030578348 scopus 로고    scopus 로고
    • A.-L. Barra, P. Brunner, D. Gatteschi, Ch. E. Schulz, and R. Sessoli, Europhys. Lett. 0295-5075 10.1209/epl/i1996-00544-3 35, 133 (1996); S. Ferlay, T. Mallah, R. Ouahes, P. Veillet, and M. Verdaguer, Inorg. Chem. 0020-1669 10.1021/ic980109w 38, 229 (1999); D. Gatteschi, L. Pardi, A.-L. Barra, A. Müller, and J. Döring, Nature (London) 0028-0836 10.1038/354463a0 354, 463 (1991); A. Müller and J. Döring, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198817211 27, 1721 (1988); K. Wieghardt, K. Pohl, I. Jibrul, and G. Huttner, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198400771 23, 77 (1984); S. M. J. Aubin, N. R. Dilley, L. Pardi, J. Am. Chem. Soc. 0002-7863 10.1021/ja974241r 120, 4991 (1998); W. Wernsdorfer, S. Bhaduri, C. Boskovic, G. Christou, and D. N. Hendrickson, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.180403 65, 180403 (2002); C. Cadiou, M. Murrie, C. Paulsen, V. Villar, W. Wernsdorfer, and R. E. P. Winpenny, Chem. Commun. (Cambridge) 2001, 2666.
    • (1996) Europhys. Lett. , vol.35 , pp. 133
    • Barra, A.-L.1    Brunner, P.2    Gatteschi, D.3    Schulz, Ch.E.4    Sessoli, R.5
  • 13
    • 0000804958 scopus 로고    scopus 로고
    • A.-L. Barra, P. Brunner, D. Gatteschi, Ch. E. Schulz, and R. Sessoli, Europhys. Lett. 0295-5075 10.1209/epl/i1996-00544-3 35, 133 (1996); S. Ferlay, T. Mallah, R. Ouahes, P. Veillet, and M. Verdaguer, Inorg. Chem. 0020-1669 10.1021/ic980109w 38, 229 (1999); D. Gatteschi, L. Pardi, A.-L. Barra, A. Müller, and J. Döring, Nature (London) 0028-0836 10.1038/354463a0 354, 463 (1991); A. Müller and J. Döring, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198817211 27, 1721 (1988); K. Wieghardt, K. Pohl, I. Jibrul, and G. Huttner, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198400771 23, 77 (1984); S. M. J. Aubin, N. R. Dilley, L. Pardi, J. Am. Chem. Soc. 0002-7863 10.1021/ja974241r 120, 4991 (1998); W. Wernsdorfer, S. Bhaduri, C. Boskovic, G. Christou, and D. N. Hendrickson, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.180403 65, 180403 (2002); C. Cadiou, M. Murrie, C. Paulsen, V. Villar, W. Wernsdorfer, and R. E. P. Winpenny, Chem. Commun. (Cambridge) 2001, 2666.
    • (1999) Inorg. Chem. , vol.38 , pp. 229
    • Ferlay, S.1    Mallah, T.2    Ouahes, R.3    Veillet, P.4    Verdaguer, M.5
  • 14
    • 0026381807 scopus 로고
    • A.-L. Barra, P. Brunner, D. Gatteschi, Ch. E. Schulz, and R. Sessoli, Europhys. Lett. 0295-5075 10.1209/epl/i1996-00544-3 35, 133 (1996); S. Ferlay, T. Mallah, R. Ouahes, P. Veillet, and M. Verdaguer, Inorg. Chem. 0020-1669 10.1021/ic980109w 38, 229 (1999); D. Gatteschi, L. Pardi, A.-L. Barra, A. Müller, and J. Döring, Nature (London) 0028-0836 10.1038/354463a0 354, 463 (1991); A. Müller and J. Döring, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198817211 27, 1721 (1988); K. Wieghardt, K. Pohl, I. Jibrul, and G. Huttner, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198400771 23, 77 (1984); S. M. J. Aubin, N. R. Dilley, L. Pardi, J. Am. Chem. Soc. 0002-7863 10.1021/ja974241r 120, 4991 (1998); W. Wernsdorfer, S. Bhaduri, C. Boskovic, G. Christou, and D. N. Hendrickson, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.180403 65, 180403 (2002); C. Cadiou, M. Murrie, C. Paulsen, V. Villar, W. Wernsdorfer, and R. E. P. Winpenny, Chem. Commun. (Cambridge) 2001, 2666.
    • (1991) Nature (London) , vol.354 , pp. 463
    • Gatteschi, D.1    Pardi, L.2    Barra, A.-L.3    Müller, A.4    Döring, J.5
  • 15
    • 84990111639 scopus 로고
    • A.-L. Barra, P. Brunner, D. Gatteschi, Ch. E. Schulz, and R. Sessoli, Europhys. Lett. 0295-5075 10.1209/epl/i1996-00544-3 35, 133 (1996); S. Ferlay, T. Mallah, R. Ouahes, P. Veillet, and M. Verdaguer, Inorg. Chem. 0020-1669 10.1021/ic980109w 38, 229 (1999); D. Gatteschi, L. Pardi, A.-L. Barra, A. Müller, and J. Döring, Nature (London) 0028-0836 10.1038/354463a0 354, 463 (1991); A. Müller and J. Döring, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198817211 27, 1721 (1988); K. Wieghardt, K. Pohl, I. Jibrul, and G. Huttner, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198400771 23, 77 (1984); S. M. J. Aubin, N. R. Dilley, L. Pardi, J. Am. Chem. Soc. 0002-7863 10.1021/ja974241r 120, 4991 (1998); W. Wernsdorfer, S. Bhaduri, C. Boskovic, G. Christou, and D. N. Hendrickson, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.180403 65, 180403 (2002); C. Cadiou, M. Murrie, C. Paulsen, V. Villar, W. Wernsdorfer, and R. E. P. Winpenny, Chem. Commun. (Cambridge) 2001, 2666.
    • (1988) Angew. Chem., Int. Ed. Engl. , vol.27 , pp. 1721
    • Müller, A.1    Döring, J.2
  • 16
    • 84985616375 scopus 로고
    • A.-L. Barra, P. Brunner, D. Gatteschi, Ch. E. Schulz, and R. Sessoli, Europhys. Lett. 0295-5075 10.1209/epl/i1996-00544-3 35, 133 (1996); S. Ferlay, T. Mallah, R. Ouahes, P. Veillet, and M. Verdaguer, Inorg. Chem. 0020-1669 10.1021/ic980109w 38, 229 (1999); D. Gatteschi, L. Pardi, A.-L. Barra, A. Müller, and J. Döring, Nature (London) 0028-0836 10.1038/354463a0 354, 463 (1991); A. Müller and J. Döring, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198817211 27, 1721 (1988); K. Wieghardt, K. Pohl, I. Jibrul, and G. Huttner, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198400771 23, 77 (1984); S. M. J. Aubin, N. R. Dilley, L. Pardi, J. Am. Chem. Soc. 0002-7863 10.1021/ja974241r 120, 4991 (1998); W. Wernsdorfer, S. Bhaduri, C. Boskovic, G. Christou, and D. N. Hendrickson, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.180403 65, 180403 (2002); C. Cadiou, M. Murrie, C. Paulsen, V. Villar, W. Wernsdorfer, and R. E. P. Winpenny, Chem. Commun. (Cambridge) 2001, 2666.
    • (1984) Angew. Chem., Int. Ed. Engl. , vol.23 , pp. 77
    • Wieghardt, K.1    Pohl, K.2    Jibrul, I.3    Huttner, G.4
  • 17
    • 0032572096 scopus 로고    scopus 로고
    • A.-L. Barra, P. Brunner, D. Gatteschi, Ch. E. Schulz, and R. Sessoli, Europhys. Lett. 0295-5075 10.1209/epl/i1996-00544-3 35, 133 (1996); S. Ferlay, T. Mallah, R. Ouahes, P. Veillet, and M. Verdaguer, Inorg. Chem. 0020-1669 10.1021/ic980109w 38, 229 (1999); D. Gatteschi, L. Pardi, A.-L. Barra, A. Müller, and J. Döring, Nature (London) 0028-0836 10.1038/354463a0 354, 463 (1991); A. Müller and J. Döring, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198817211 27, 1721 (1988); K. Wieghardt, K. Pohl, I. Jibrul, and G. Huttner, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198400771 23, 77 (1984); S. M. J. Aubin, N. R. Dilley, L. Pardi, J. Am. Chem. Soc. 0002-7863 10.1021/ja974241r 120, 4991 (1998); W. Wernsdorfer, S. Bhaduri, C. Boskovic, G. Christou, and D. N. Hendrickson, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.180403 65, 180403 (2002); C. Cadiou, M. Murrie, C. Paulsen, V. Villar, W. Wernsdorfer, and R. E. P. Winpenny, Chem. Commun. (Cambridge) 2001, 2666.
    • (1998) J. Am. Chem. Soc. , vol.120 , pp. 4991
    • Aubin, S.M.J.1    Dilley, N.R.2    Pardi, L.3
  • 18
    • 0001273957 scopus 로고    scopus 로고
    • A.-L. Barra, P. Brunner, D. Gatteschi, Ch. E. Schulz, and R. Sessoli, Europhys. Lett. 0295-5075 10.1209/epl/i1996-00544-3 35, 133 (1996); S. Ferlay, T. Mallah, R. Ouahes, P. Veillet, and M. Verdaguer, Inorg. Chem. 0020-1669 10.1021/ic980109w 38, 229 (1999); D. Gatteschi, L. Pardi, A.-L. Barra, A. Müller, and J. Döring, Nature (London) 0028-0836 10.1038/354463a0 354, 463 (1991); A. Müller and J. Döring, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198817211 27, 1721 (1988); K. Wieghardt, K. Pohl, I. Jibrul, and G. Huttner, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198400771 23, 77 (1984); S. M. J. Aubin, N. R. Dilley, L. Pardi, J. Am. Chem. Soc. 0002-7863 10.1021/ja974241r 120, 4991 (1998); W. Wernsdorfer, S. Bhaduri, C. Boskovic, G. Christou, and D. N. Hendrickson, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.180403 65, 180403 (2002); C. Cadiou, M. Murrie, C. Paulsen, V. Villar, W. Wernsdorfer, and R. E. P. Winpenny, Chem. Commun. (Cambridge) 2001, 2666.
    • (2002) Phys. Rev. B , vol.65 , pp. 180403
    • Wernsdorfer, W.1    Bhaduri, S.2    Boskovic, C.3    Christou, G.4    Hendrickson, D.N.5
  • 19
    • 23844453317 scopus 로고    scopus 로고
    • A.-L. Barra, P. Brunner, D. Gatteschi, Ch. E. Schulz, and R. Sessoli, Europhys. Lett. 0295-5075 10.1209/epl/i1996-00544-3 35, 133 (1996); S. Ferlay, T. Mallah, R. Ouahes, P. Veillet, and M. Verdaguer, Inorg. Chem. 0020-1669 10.1021/ic980109w 38, 229 (1999); D. Gatteschi, L. Pardi, A.-L. Barra, A. Müller, and J. Döring, Nature (London) 0028-0836 10.1038/354463a0 354, 463 (1991); A. Müller and J. Döring, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198817211 27, 1721 (1988); K. Wieghardt, K. Pohl, I. Jibrul, and G. Huttner, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.198400771 23, 77 (1984); S. M. J. Aubin, N. R. Dilley, L. Pardi, J. Am. Chem. Soc. 0002-7863 10.1021/ja974241r 120, 4991 (1998); W. Wernsdorfer, S. Bhaduri, C. Boskovic, G. Christou, and D. N. Hendrickson, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.180403 65, 180403 (2002); C. Cadiou, M. Murrie, C. Paulsen, V. Villar, W. Wernsdorfer, and R. E. P. Winpenny, Chem. Commun. (Cambridge) 2001, 2666.
    • Chem. Commun. (Cambridge) , vol.2001 , pp. 2666
    • Cadiou, C.1    Murrie, M.2    Paulsen, C.3    Villar, V.4    Wernsdorfer, W.5    Winpenny, R.E.P.6
  • 20
    • 0002494492 scopus 로고
    • edited by B. N.Figgis and G.Melson (Marcel Dekker, New York
    • A. Bencini and D. Gatteschi, Transition Metal Chemistry, edited by, B. N. Figgis, and, G. Melson, (Marcel Dekker, New York, 1982), Vol. 8, p. 1.
    • (1982) Transition Metal Chemistry , vol.8 , pp. 1
    • Bencini, A.1    Gatteschi, D.2
  • 25
    • 10644250257 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
    • (1964) Phys. Rev. , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 26
    • 0042113153 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 27
    • 0001681706 scopus 로고    scopus 로고
    • M. R. Pederson and K. A. Jackson, Phys. Rev. B 0163-1829 10.1103/PhysRevB.41.7453 41, 7453 (1990); K. A. Jackson and M. R. Pederson, Phys. Rev. B 42, 3276 (1990); D. V. Porezag, Ph.D. thesis, Chemnitz Technical Institute, 1997.
    • (1990) Phys. Rev. B , vol.41 , pp. 7453
    • Pederson, M.R.1    Jackson, K.A.2
  • 28
    • 0000850096 scopus 로고
    • M. R. Pederson and K. A. Jackson, Phys. Rev. B 0163-1829 10.1103/PhysRevB.41.7453 41, 7453 (1990); K. A. Jackson and M. R. Pederson, Phys. Rev. B 42, 3276 (1990); D. V. Porezag, Ph.D. thesis, Chemnitz Technical Institute, 1997.
    • (1990) Phys. Rev. B , vol.42 , pp. 3276
    • Jackson, K.A.1    Pederson, M.R.2
  • 29
    • 0001681706 scopus 로고    scopus 로고
    • Ph.D. thesis, Chemnitz Technical Institute
    • M. R. Pederson and K. A. Jackson, Phys. Rev. B 0163-1829 10.1103/PhysRevB.41.7453 41, 7453 (1990); K. A. Jackson and M. R. Pederson, Phys. Rev. B 42, 3276 (1990); D. V. Porezag, Ph.D. thesis, Chemnitz Technical Institute, 1997.
    • (1997)
    • Porezag, D.V.1
  • 34
    • 0037014746 scopus 로고    scopus 로고
    • T. Baruah and M. R. Pederson, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(02)00824-2 360, 144 (2002); T. Baruah and M. R. Pederson, Int. J. Quantum Chem. 93, 324 (2003).
    • (2002) Chem. Phys. Lett. , vol.360 , pp. 144
    • Baruah, T.1    Pederson, M.R.2
  • 35
    • 0038444089 scopus 로고    scopus 로고
    • T. Baruah and M. R. Pederson, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(02)00824-2 360, 144 (2002); T. Baruah and M. R. Pederson, Int. J. Quantum Chem. 93, 324 (2003).
    • (2003) Int. J. Quantum Chem. , vol.93 , pp. 324
    • Baruah, T.1    Pederson, M.R.2


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