Мультипольные электронные взаимодействия в углеродных наноструктурах (фуллеренах, трубках) и кристаллах (KC60, RbC60, CsC60, Ce, TmTe, NpO2)
Диссертация
Для расчета квазиодномерных углеродных структур (легированных углеродных трубок) был разработан и реализован специальный метод — линейных присоединенных плоских волн, основанный на подходе функционала плотности в приближении локальной плотности для обменного взаимодействия. Кроме того, рассмотрен случай, когда молекула Сбо находится внутри углеродной трубки и взаимодействует с ней посредством… Читать ещё >
Список литературы
- L. A. Ponomarenko, F. Schedin, M. 1. Katsnelson, R. Yang, E. W. Hill, K. S. Novoselov, A. K. Geim, Science 320, 356 (2008).
- Nanotechnology: Societal Implications I: Maximising Benefits for Humanity- II: Individual Perspectives (Eds. Roco, Mihail C.- Bainbridge, William S., Springer 2007).
- Правительственный интернет-сайт с описанием программы исследований, целей и условий финансирования, и ожидаемыми результатами: http: //www.nano.gov.
- Т. S. Kuhn, The Structure of Scientific Revolutions, 1st. ed., Chicago: Univ. of Chicago Pr., 1962, p. 168.
- H.W. Kroto, J.R. Heath, S.C. O’Brien, R.F. Curl, and R.E. Smalley, Nature (London) 318, 162 (1985).
- W. Kratschmer, L.D. Lamb, K. Fostiropoulos, and D.R. Huffman, Nature (London) 347, 354 (1990).
- M.S. Dresselhaus, G. Dresselhaus and P.C. Eklund, Science of Fullerenes and Carbon Nanotubes (Academic Press, San Diego, 1996).
- H.W. Kroto, Chem. Soc. Rev. 11, 435 (1982) — E. Herbig, Astrophys. J. 196, 129 (1975) — A. Leger and J.L. Puget, Astr. Astrophys. Lett. 137, L5 (1984) — A. Leger, L. d’Hendecourt, L. Verstraete, and W. Schmidt, Astr. Astrophys. 203, 145 (1987).
- T.G. Dietz, M.A. Duncan, D.E. Powers, and R.E. Smalley, J. Chem. Phys. 74, 6511 (1981).
- H.W. Kroto, Carbon 30, 1139 (1992).
- R.F. Curl, Carbon 30, 1149 (1992).
- E.A. Rohlfing, D.M. Cox, and A. Kaldor, J. Chem. Phys. 81, 3322 (1984).
- H.W. Kroto, in The Fullerenes, edited by H.W. Kroto, J.E. Fischer and D.E. Cox (Pergamon Press, Oxford, 1993), p. 1.
- R.F. Curl, in The Fullerenes, edited by H.W. Kroto, J.E. Fischer and D.E. Cox (Pergamon Press, Oxford, 1993), p. 11.
- Your Private Sky: R. Buckminster Fuller- The Art of Design Science, edited by J. Krausse and C. Liechtenstein (Lars Miiller Publishers, Baden, 1999).
- Your Private Sky: Discourse- R. Buckminster Fuller- The Art of Design Science, edited by J. Krausse and C. Liechtenstein (Lars Miiller Publishers, Baden, 1999).
- P.R. Cromwell, Polyhedra (Cambrdge University Press, New York, 1997), pp. 91−92.
- R. Tycko, R.C. Haddon, G. Dabbaghj S.H. Glarum, D.C. Douglass, and A.M. Mujsce, J. Phys. Chem., 95, 518 (1991).
- C. Piskoti, J. Yager, and A. Zettl, Nature (London) 393, 771 (1998).
- A.V. Nikolaev, T.J.S. Dennis, K. Prassides, A.K. Soper, Chem. Phys. Lett., 223, 143 (1994).
- A. V. Nikolaev, К. H. Michel, Phys. Rev. В 54, 12 733 (1996).
- W. Kratschmer and D.R. Huffman, Carbon 30, 1143 (1992).
- L. Forro and L. Mihaly, Rep. Progr. Phys. 64, 649 (2001).
- K. Tanigaki, S. Kuroshima, J. Fujita, and T.W. Ebbesen, Appl. Phys. Lett. 63, 2351 (1993).
- K. Tanigaki, T.W. Ebbesen, S. Saito, J. Mizuki, J.S. Tsai, Y. Kubo, and S. Kuroshima, Nature (London), 352, 222 (1991) — K. Tanigaki, S. Kuroshima, J. Fujita, and T.W. Ebbesen, Appl. Phys. Lett. 63, 2351 (1993).
- J. Winter and H. Kuzmany, Solid State Commun. 84, 935 (1992) — Q. Zhu, O. Zhou, J.E. Fischer, A.R. McGhie, W.J. Romanov, R.M. Strongin, M.A. Cichy, and A.B. Smith III, Phys. Rev. В 47, 13 948 (1993).
- P.W. Stephens, L. Mihaly, P.A. Lee, R.L. Whetten, S.M. Huang, R. Kaner, F. Diederich, and K. Holczer, Nature (London) 351, 632 (1991).
- T. Yildirim, J.E. Fischer, A.B. Harris, P.W. Stephens, D. Liu, L. Brard, R.M. Strongin, and A.B. Smith III, Phys. Rev. Lett. 71, 1383 (1993).
- T. Yildirim, O. Zhou, J.E. Fischer, R.A. Strongin, M.A. Cichy, A.B. Smith III, C.L. Lin, and R. Jelinek, Nature (London) 360, 568 (1992).
- M.J. Rosseinsky, D.W. Murphy, R.M. Fleming, R. Tycko, A.P. Ramirez, T. Siegrist, G. Dabbagh, and S.E. Barrett, Nature (London) 356, 416 (1992).
- R.M. Fleming, M.J. Rosseinsky, A.P. Ramirez, D.W. Murphy, J.C. Tully, T. Siegrist, R. Tycko, S.H. Glarum, P. Marsh, G. Dabbagh, S.M. Zahurak, A.V. Makhija, and C. Hampton, Nature (London) 352, 701 (1991).
- S. lijima, Nature (London) 354, 56 (1991).
- N. Hamada, S. Sawada, and A. Oshiyama, Phys. Rev. Lett. 68, 1579 (1992) — D.H. Robertson, D.W. Brenner, and J.W. Mintmire, Phys. Rev. В 45, 12 592 (1992).
- N. Wang, Z.K. Tang, G.D. Li, Nature (London) 408, 50 (2000).
- W. Honlein and F. Kreupl, Physik Journal 3, Issue 10, 39 (2004).
- L. Zheng, M.J. O’Connell, S.K. Doom, Z. Liao, Y. Zhao, E.A. Akhadov, M.A. Hoffbauer, B.J. Roop, Q. Jia, R.C. Dye, D.E. Peterson, S. Huang, J. Liu, and Y.T. Zhu, Nat. Mater. 3, 673 (2004).
- J.T. Titantah, K. Jorissen, and D. Lamoen, Phys. Rev. В 69, 125 406 (2004).
- S. lijima and T. Ichihashi, Nature (London) 363, 603 (1993) — D.S. Bethune, C.H. Kiang, and M.S. de Vries, G. Gorman, R. Savoy, J. Vazquez and R. Beyers, Nature (London) 363, 605 (1993).
- X.B. Zhang, X.F. Zhang, D. Bernaerts, G.T. Van Tendeloo, S. Amelinckx, J. Van Landuyt, V. Ivanov, J.B. Nagy, P. Lambin, and A.A. Lucas, Europhys. Lett. 27, 141 (1994).
- P. Nikolaev, M.J. Bronikowski, R.K. Bradley, F. Rohmung, D.T. Colbert, K.A. Smith, and R.E. Smalley, Chem. Phys. Lett. 313, 91 (1999).
- J.F. Colomer, C. Stephan, S. Lefrant, G. Van Tendeloo, I. Willems, Z. Konya, A. Fonseca, C. Laurent, and J.B. Nagy, Chem. Phys. Lett. 317, 83 (2000).
- J. Kong, H.T. Soh, A.M. Cassell, C.F. Quate, and HJ. Dai, Nature (London) 395, 878 (1998).
- T. Guo, P. Nikolaev, A. Thess, D.T. Colbert, R.E. Smalley, Chem. Phys. Lett. 243, 49 (1995).
- A. Thess, R. Lee, P. Nikolaev, H.J. Dai, P. Petit, J. Robert, C.H. Xu, Y.H. Lee, S.G. Kim, A.G. Rinzler, D.T. Colbert, G.E. Scuseria, D. Tomanek, J.E. Fischer, and R.E. Smalley, Science 273, 483 (1996).
- C. Journet, W.K. Maser, P. Bernier, A. Loiseau, M.L. de la Chapelle, S. Lefrant, P. Deniard, R. Lee, J.E. Fischer, Nature (London) 388, 7 561 997).
- J. Li, C. Papadopoulos, and J. Xu, Nature (London) 402, 253 (1999).
- R. Saito, G. Dresselhaus, and M.S. Dresselhaus, Physical Properties of Carbon Nanotubes (Imperial College Press, London, 1998).
- B.W. Smith, M. Monthioux, and D.E. Luzzi, Nature (London) 396, 3 231 998).
- D.J. Hornbaker, S-J. Kahng, S. Misra, B.W. Smith, AT. Johnson, E.J. Mele, D.E. Luzzi, and A. Yazdani, Science 295, 828 (2002) — C.L. Kane, E.J. Mele, AT. Johnson, D.E. Luzzi, B.W. Smith, DJ. Hornbaker, and A. Yazdani, Phys. Rev. В 66, 235 423 (2002).
- S. Bandow, M. Takizawa, K. Hirahara, M. Yudasaka, and S. lijima, Chem. Phys. Lett. 337, 48 (2001).
- D.S. Bethune, R.D. Johnson, J.R. Salem, M.S. de Vries, and C.S. Yannoni, Nature (London) 366, 123 (1993).
- J.R. Heath, S.C. O’Brien, Q. Zhang, Y. Liu, R.F. Curl, H.W. Kroto, F.K. Tittel, and R.E. Smalley, J. Am. Chem. Soc. 107, 7779 (1985).
- T. Guo, M.D. Diener, Y. Chai, J.M. Alford, R.E. Haufler, S.M. McClure, T.R. Ohno, J.H. Weaver, G.E. Scuseria, and R.E. Smalley, Science 257, 1661 (1992).
- H. Shinohara, H. Yamaguchi, N. Hayashi, H. Sato, M. Inagaki, Y. Saito, S. Bandow, H. Kitagawa, T. Mitani, and H. Inokuchi, Materials and Science Engineering B19, 25 (1993).
- R.E. Smalley, in Large Carbon Clusters, edited by G.S. Hammond and V.J. Kuck, p. 199 (American Chemical Society, Washington, 1991).
- R.E. Smalley, Materials Science and Engineering B19, 1 (1993).
- К. Komatsu, М. Murata, and Y. Murata, Science 307, 328 (2005).
- P. M. Ajayan, T. Ichihashi, and S. lijima, Chem. Phys. Lett. 202, 384 (1993).
- M.S. Dresselhaus, G. Dresselhaus, and R. Saito, Carbon 33, 883 (1995).
- S. lijima, Materials Science and Engineering, B19, 172, (1993).
- P. J. F. Harris, S. C. Tsang, J. B. Claridge, and M. L. H. Green, J. Chem. Soc, Faraday Trans 90, 2799 (1994).
- K. Sattler, Carbon 33, 915 (1995).
- A. Krishnan, E. Dujardin, M.M.J. Treacy, J. Hugdahl, S. Lynum, and T.W. Ebbesen, Nature (London) 388, 451 (1997).
- S. lijima, M. Yudasaka, R. Yamada, S. Bandow, K. Suenaga, F. Kokai, and K. Takahashi, Chem. Phys. Lett. 309, 165 (1999).
- H.W. Kroto and K. McKay, Nature (London) 331, 328 (1988).
- D. Ugarte, Nature (London) 359, 707 (1992).
- S. lijima, J. Cryst. Growth 50, 675 (1980).
- S. lijima, T. Ichihashi, and Y. Ando, Nature (London) 356, 776 (1992).
- B.I. Dunlap, Phys. Rev. В 46, 1933 (1992).
- B.I. Dunlap, Phys. Rev. В 49, 5643 (1994).
- M. Sano, A. Kamino, J. Okamura, and S. Shinkai, Science 293, 1299 (2001) — R. Mattel, H.R. Shea, and P. Avouris, Nature (London) 398, 299 (1999).
- L.P. Biro, S.D. Lazarescu, P.A. Thiry, A. Fonseca, J.B. Nagy, A.A. Lucas, and P. Lambin, Europhys. Lett. 50, 494 (2000) — A. Volodin, M. Ahlskog, E. Seynaeve, C. Van Haesendonck, A. Fonseca, and J.B. Nagy, Phys. Rev. Lett. 84, 3342 (2000).
- B.I. Dunlap, Phys. Rev. В 50, 8134 (1994).
- S. Amelinckx, X.B. Zhang, D. Bernaerts, X.F. Zhang, V. Ivanov, and J.B. Nagy, Science 265, 635 (1994).
- W. Andreoni, The Physics of Fullerene-Based and Fullerene-related materials (Springer, 2000).
- L. Pauling, The Nature of the Chemical Bond (Cornell U. P., Ithaca, NY, 1972).
- H. Petroski, The Pencil: A History of Design and Circumstance (Alfred Knopf, New York, 1989).
- K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Gregorieva, and A. A. Firsov, Science 306, 666 (2004).
- A. K. Geim, and. A. H. MacDonald, Physics Today 60, 35 (2007).
- D. S. L. Abergel, A. Russell, and V. I. Fal’ko, Appl. Phys. Lett. 91, 63 125 (2007).
- P. Blake, K. S. Novoselov, A. H. Castro Neto, D. Jiang, R. Yang, T. J. Booth, A. K. Geim, and E. W. Hill, Appl. Phys. Lett. 91, 63 124 (2007).
- A. K. Geim, and K. S. Novoselov, Nature Materials 6, 183 (2007).
- M. S. Dresselhaus, and G. Dresselhaus, Advances in Physics 51, 1 (2002).
- B. Uchoa, and A. H. Castro Neto, Phys. Rev. Lett. 98, 146 801 (2007).
- K. Tanigaki and K. Prassides, J. Mater. Chem., 5, 1515 (1995).
- O. Gunnarsson, Rev. Mod. Phys. 69, 575 (1997).
- L. Forro and L. Mihaly, Rep. Prog. Phys. 64, 649 (2001).
- H. Kuzmany, B. Burger, and J. Kiirti, in Optical and Electronic Properties of Fullerenes and Fullerene-Based Materials, edited by J. Shinar, Z.V. Vardeny and Z.H. Kafafi, Marcel Dekker, 2000.
- C.A. Reed and R.D. Bolskar, Chem. Rev. 100, 1075 (2000).
- M. Boyle, K. Hoffmann, C.P. Schulz, I.V. Hertel, R.D. Levine, E.E.B. Campbell, Phys. Rev. Lett. 87, 273 401 (2001).95 96 [9798 99 100 101 102 103 104 105 106 101 556 477 952
- А. V. Nikolaev and К. H. Michel, J. Chem. Phys. 117, 4761 (2002).
- A. V. Nikolaev and К. H. Michel, J. Chem. Phys. 120, 8334 (2004).
- R.C. Haddon, L.E. Brus, K. Raghavachari, Chem. Phys. Lett., 125, 459 (1986) — R.C. Haddon, Science, 261, 1545 (1993).
- Д.А. Бочвар, Е. Г. Гальперн, ДАН СССР, 209, 610 (1973).
- B.N. Piakhutin, J. Struct. Chem. 39, 183 (1998).
- B.N. Piakhutin, Chem. Phys. Lett. 227, 396 (1994) — B.N. Piakhutin, in Reviews of Modern Quantum Chemistry, vol. I, edited by K.D. Sen (World Scientific, 2002), p. 16.
- Б.Н. Плахутин, автореферат докторской диссертации (МГУ, 1995) — B.N. Piakhutin and R. Carbo-Dorca, Phys. Lett. A 267, 370 (2000).
- B. N. Piakhutin, J. Chem. Phys. 119, 11 429 (2003).
- A. Auerbach, N. Manini, and E. Tosatti, Phys. Rev. В 49, 12 998 (1994) — ibid. 49, 13 008 (1994).
- E. Tosatti, N. Manini, O. Gunnarsson, Phys. Rev. В 54, 17 184 (1996).
- B.R. Judd and E. Lo, J. Chem. Phys. Ill, 5706 (1999). E. Lo and B.R. Judd, Phys. Rev. Lett. 82, 3224 (1999).
- B.R. Judd and E. Lo, J. Phys. В 32, 1073 (1999).
- C.P. Moate, M.C.M. O’Brien, J.L. Dunn, C.A. Bates, Y.M. Liu, and V.Z. Polinger, Phys. Rev. Lett. 77, 4362 (1996).1.l. J.L. Dunn and C.A. Bates, Phys. Rev. В 52, 5996 (1995)
- I.D. Hands, J.L. Dunn, and C.A. Bates, Phys. Rev. В 63, 245 414 (2001).
- A. Ceulemans and P.W. Fowler, J. Chem. Phys. 93, 1221 (1990) — P.W. Fowler and A. Ceulemans, Mol. Phys. 54, 767 (1985).
- M.C.M. O’Brien, Phys. Rev. В 53, 3775 (1996).
- E.U. Condon and G.H. Shortley, The theory of atomic spectra, (University Press, Cambridge, 1967).
- A. V. Nikolaev K. Prassides, К. H. Michel, J. Chem. Phys. 108, 4912 (1998).
- A. V. Nikolaev and К. H. Michel, Eur. Phys. J. В 9, 619 (1999) — ibid. 17, 363 (2000).
- A. V. Nikolaev and К. H. Michel, Eur. Phys. J. В 17, 15 (2000).
- F. Negri, G. Orlandi, F. Zerbetto, J. Am. Chem. Soc. 114, 2909 (1992).
- R. Saito, G. Dresselhaus, and M.S. Dresselhaus, Chem. Phys. Lett. 210, 159 (1993).
- Л. Д. Ландау и E. M. Лифшиц Квантовая механика Нерелятивистская теория, т. Ill, (Москва, Наука, 1989).
- I.B. Bersuker and V.Z. Polinger, Vibronic Interactions in Molecules and Crystals (Springer, Berlin, 1989).
- C.J. Bradley and A.P. Cracknell, The Mathematical Theory of Symmetry in Solids, (Clarendon, Oxford, 1972).
- N.V. Cohan, Proc. Camb. Phil. Soc. Math. Phys. Sci. 54, 28 (1958).
- К. H. Michel, J. R. D. Copley, D. A. Neumann, Phys. Rev. Lett. 68, 2929 (1992) —
- M.Tinkham, Group Theory and Quantum Mechanics, (McGraw-Hill, New York, 1964).
- W.I.F. David, R.M. Ibberson, J.C. Matthewman, K. Prassides, T.J.S. Dennis, J.P. Hare, H.W. Kroto, D.R.M. Walton, Nature, 353, 147 (1991).
- S.H. Yang, C.L. Pettiette, J. Conceicao, O. Cheshnovsky, R.E. Smally, Chem. Phys. Lett. 139, 5 (1987) — D.L. Lichtenberger, K.W. Nebesny, C.D. Ray, D.R. Huffman, L.D. Lamb, Chem. Phys. Lett. 176, 203 (1991).
- T. Kato, T. Kodama, T. Shida, T. Nakagawa, Y. Matsui, S. Suzuki, H. Shiromaru, K. Yamauchi, Y. Achiba, Chem. Phys. Lett. 180, 446 (1991) — M.A. Greaney, S.M. Gorun, J. Phys. Chem. 95, 7142 (1991).
- I. Lindgren, and J. Morrison, Atomic Many-Body Theory (Springer-'Verlag, Berlin, 1982).
- S. Larsson, A. Volosov, A. Rosen, Chem. Phys. Lett. 137, 501 (1987).
- F. Negri, G. Orlandi, and F. Zerbetto, Chem. Phys. Lett. 144, 31 (1988).
- I. Laszlo and L. Udvardi, J. Mol. Struct. (Theochem) 183, 271 (1989) — I. Laszlo and L. Udvardi, Chem. Phys. Lett. 136, 418 (1987).i
- M. Braga, S. Larsson, A. Rosen, and A. Volosov, Astron. Astrophys. 245, 232 (1991) — M. Braga, A. Rosen, S. Larsson, Z. Phys. D 19, 435 (1991).
- E. Westin, A. Rosen, G. Те Velde, E. J. Baerends, J. Phys. B: At. Mol. Opt. Phys. 29, 5087 (1996).
- A. V. Nikolaev, I. V. Bodrenko, and E. V. Tkalya, Phys. Rev. A 77, 12 503 (2008).
- S. Leach, M. Vervloet, A. Despres, E. Brehert, J. P. Hare, T. J. Dennis, H. W. Kroto, R. Taylor and D. R. M. Walton, Chem. Phys. 160, 451 (1992).
- Z. Gasyna, P. N. Schatz, J. P. Hare, T. J. Dennis, H. W. Kroto, R. Taylor, and D. R. M. Walton, Chem. Phys. Lett. 183, 283 (1991).
- С. C. Chancey and M.C.M. O’Brien, The Jahn-Teller Effect in Cqq and Other Icosahedral Complexes, Princeton University Press, N. J, 1997).
- A. Szabo and N. S. Ostlund, Modern Quantum Chemistry, (Dover, McGraw-Hill, 1989).
- B. 0. Roos and P. R. Taylor, Chem. Phys. 48, 157 (1980) — В. O. Roos, in Adv. Chem. Phys.- Ab Initio Methods in Quantum Chemistry II, Ch. 69, edited by K. P. Lawley, (John Wiley & Sons, 1987) p. 399.
- J. С. Greer, Chem. Phys. Lett. 326, 567 (2000).
- R. D, Johnson, G. Meijer, J. R. Salem and D. S. Bethune, J. Am. Chem. Soc. 113, 3619 (1991) — A. K. Soper, W. I. F. David, D. S. Sivia, T. J. S. Dennis, J. P. Hare and K. Prassides, J. Phys. Condens. Matter 4, 60 871 992).
- A. Artemyev, A. Bibikov, V. Zayets, and I. Bodrenko, J. Chem. Phys. 123, 24 103 (2005).
- O. Vahtras, J. Almlof, and M. F. Feyereisen, Chem. Phys. Lett. 213, 5 141 993).
- M. M. Francl, W. J. Pietro, W.-J. Hehre, J. S. Binkley, M. S. Gordon, D. J. DeFrees and J. A. Pople, J. Chem. Phys. 77, 3654 (1982).
- Базисные наборы брались из библиотеки EMSL, Version 02/02/06, http://www.emsl.pnl.gov/forms/basisform.html
- Т. Н. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
- R. Rabilizirov, Astrophys. Space Sci. 125, 331 (1986).
- F. Negri, G. Orlandi, and F. Zerbetto, J. Am. Chem. Soc. 114, 2909 (1992).
- M. Wierzbowska, M. Liiders, E. Tosatti, J. Phys. B: At. Mol. Phys. 37, 2685 (2004).
- G. Herzberg, Molecular Spectra and Molecular Structure, Vol. 3 (Van Nostrand, Princeton, 1966).
- T. Hashimoto, H. Nakano, K. Hirao, J. Mol. Struc. (Theochem), 451, 25 (1998).
- A. Hiraya, K. Shobatake, J. Chem. Phys. 94, 7700 (1991).
- F. Negri, G. Orlandi, and F. Zerbetto, J. Chem. Phys. 97, 6496 (1992).
- J. P. Doering, J. Chem. Phys. 51, 2866 (1969).
- L. Granasy, S. Pekker, L. Forro, Phys. Rev. В 53, 5059 (1996).
- ВЛ. Аксенов, Ю. А. Осипьян, B.C. Шахматов, Письма в ЖЭТФ, 62, 417 (1995).
- ВЛ. Аксенов, Ю. А. Осипьян, B.C. Шахматов, Письма в ЖЭТФ, 64, 110 (1996).
- Л. Д. Ландау и Е. М. Лифшиц Статистическая физика, Часть 1, т. V, (Москва, Наука, 1995).
- Т. Pusztai, G. Faigel, L. Granasy, M. Tegze, S. Pekker, Europhys. Lett. 32, 721 (1995).
- J. Kurti, K. Nemeth, Chem. Phys. Lett. 256, 119 (1996).
- G.E. Scuseria, Chem. Phys. Lett. 257, 583 (1996).
- К. H. Michel, Z. Phys. В Cond. Matter 88, 71 (1992).
- D. Lamoen, K.H. Michel, J. Chem. Phys. 101, 1435 (1994).
- A.K. Callebaut, K.H. Michel, Phys. Rev. В 52, 15 279 (1995) —
- H.M. James and T.A. Keenan, J. Chem. Phys. 31, 12 (1959).
- M. Yvinec and R.M.P ick, J. Phys. (Paris) 41, 1045 (1980).
- K.H. Michel and K. Parlinski, Phys. Rev. В 31, 1823 (1985).
- R. Tycko, G. Dabbagh, D.W. Murphy, Q. Zhu and J.E. Fischer, Phys. Rev. B, 48, 9097 (1993).
- P.W. Atkins and R.S. Friedman, Molecular Quantum Mechanics, (3rd edition, Oxford University Press, Oxford, 1997).
- S. Satpathy, V.P. Antropov, O.K. Andersen, O. Jepsen, O. Gunnarsson, A.I. Liechtenstein, Phys. Rev. B, 46, 1773 (1992).
- J.R.D. Copley, K.H. Michel, J. Phys. Condens. Matter 5, 4353 (1993).
- R. Sachidanandam and A.B. Harris, Phys. Rev. Lett. 67, 1467 (1991) — P.A. Heiney, J. Phys. Chem. Solids, 53, 1333 (1992).
- A.B. Harris and R. Sachidanandam, Phys. Rev. В 46, 4944 (1992).
- P. Launois, S. Ravy and R. Moret, Phys. Rev. В 52, 5414 (1995).
- K.H. Michel, J.R.D. Copley, Z. Phys. В Cond. Matter 103, 369 (1997).
- H.T. Stokes and D.M. Hatch, Isotropy subgroups of the crystallographic space groups, (World Scientific, Singapore, 1988).
- P. Zielinski, K. Parlinski, J. Phys. С 17, 3301 (1984).
- D. Lamoen, K.H. Michel, Z. Phys. В Cond. Matter 92, 323 (1993).
- J.D. Axe, S.C. Moss, D.A. Neumann, in Solid State Physics, v. 48, p.149, H. Ehrenreich, F. Spaepen (eds.), (Academic Press, New York, 1994) and Erratum, ibidem.
- W.I.F. David, R.M. Ibberson, T.J.S. Dennis, J.P. Hare, K. Prassides, Europhys. Lett. 18, 219 (1992).
- T. Matsuo, H. Suga, W.I.F. David, R.M. Ibberson, P. Bernier, A. Zahab, C. Fabre, A. Rassat and A. Dworkin, Solid State Commun. 83, 711 (1992) — G. Pitsi, J. Caerels and J. Thoen, Phys. Rev. В 55, 915 (1997).
- К. Prassides, К. Vavekis, К. Kordatos, К. Tanigaki, G. M. Bendele, and P. W. Stephens, J. Am. Chem. Soc. 119, 834 (1997) — G. M. Bendele, P. W. Stephens, K. Prassides, K. Vavekis, K. Kordatos, and K. Tanigaki, Phys. Rev. Lett. 80, 736 (1998).
- R. Moret, P. Launois, P.-A. Persson and B. Sundquist, Europhys. Lett. 40, 55 (1997).
- W.I.F. David and R.M. Ibberson, J. Phys. Condens. Matter 5, 7923 (1993).
- R. Moret, J.P. Pouget, R. Comes and K. Bechgaard, Phys. Rev. Lett., 49, 1008 (1982).
- J.C. Slater, G.F. Koster, Phys. Rev. 94, 1498 (1954).2091 P. Moret, P. Launois, P.A. Persson, B. Sundqvist, Europhys. Lett. 40, 55 (1997).
- A.M. Rao, P. Zhou, K.-A. Wang, G.T. Hager, J.M. Holden, Y. Wang, W.-T. Lee, X.-X. Bi, P.C. Eklund, and D.S. Cornett, Science 259, 955 (1993).
- S.C. Erwin, G.V. Krishna, E.J. Mele, Phys. Rev. В 51, 7345 (1995).2121 К. Tanaka, Т. Saito, Y. Oshima, T. Yamabe, H. Kobayashi, Chem. Phys. Lett. 272, 189 (1997).
- V. Brouet, H. Alloul, Y. Yoshinari, L. Forro, Phys. Rev. Lett. 76, 3638 (1996).
- T.M. de Swiet, J.L. Yarger, T. Wagberg, J. Hone, B.J. Gross, M. Tomaselli, J.J. Titman, A. Zettl, M. Mehring, Phys. Rev. Lett. 84, 717 (2000).2151 К. H. Michel and A. V. Nikolaev, Phys. Rev. Lett. 85, 3197 (2000).
- S. Stafstrom, M. Boman, J. Fagerstrom, Europhys. Lett. 30, 295 (1995).
- H. Alloul, V. Brouet, E. Lafontaine, L. Malier, and L. Forro, Phys. Rev. Lett. 76, 2922 (1996).
- S. Rouziere, S. Margadonna, K. Prassides, and A.N. Fitch, Europhys. Lett. 51, 314 (2000).
- Л. Д. Ландау и Е. М. Лифшиц Теория упругости, т. VII, (Москва, Физматлит, 2003).
- R. М. Lynden-Bell and К. Н. Michel, Rev. Mod. Phys. 66, 721 (1994).
- N. W. Ashcroft and N. D. Mermin, Solid State Physics, Holt, Rinehart and Winston, 1976.
- A. Huller, Z. Phys. 254, 456 (1972) — A. Huller and J.W. Kane, J. Chem. Phys. 61, 3599 (1974).
- N. Parsonage and L.A.K. Staveley, Disorder in Crystals, Clarendon, Oxford, 1978.
- K.F. Niebel and J.A. Venables, in Rare Gas Solids, M.L. Klein and J.A. Venables eds., Academic Press, London, 1976, p. 558.
- R. A. Cowley, W. Cochran, B. N. Brockhouse, A. D. B. Woods, Phys. Rev. 131, 1030 (1963) — R. Migoni, H. Bilz, and D. Baiierle, Phys. Rev. Lett. 37, 1155 (1976).
- H.A. Kramers, Physics 1, 182 (1934).
- P.W. Anderson, Phys. Rev. 79, 350 (1950).
- P. Fulde, Electron Correlations in Molecules and Solids, Springer Heidelberg, 1995.
- D. Jerome, Science 252, 1509 (1991).
- P.W. Anderson, Science 235, 1196 (1987).
- J.S. Miller and A.J. Epstein, Angew. Chem. Int. Ed. 33, 385 (1994) — MRS Bulletin 25, No. 11 (2000).
- S. Pekker, L. Forro, L. Mihaly, and A. Janossy, Europhys. Lett. 51, 314 (2000).
- C. Coulon, A. Penicaud, R. Clerac, R. Moret, P. Launois, and J. Hone, Phys. Rev. Lett. 86, 4346 (2001).
- B. Verberck, A.V. Nikolaev, and K.H. Michel, Phys. Rev. В 66, 165 425 (2002).
- В. Verberck, К.Н. Michel and A.V. Nikolaev, J. Chem. Phys. 116, 10 462 (2002).
- T. Yildirim, L. Barbedette, J.E. Fischer, C.L. Lin, J. Robert, P. Petit, T.T.M. Palstra, Phys. Rev. Lett. 77 167 (1996).
- M. Luders, A. Bordon, N. Manini, A. Dal Corso, M. Fabrizio, E. Tosatti, Phil. Mag. В 82, 1611 (2002).
- W. Heitler and F. London, Z. Physik 44, 455 (1927) — L. Pauling, The Nature of the Chemical Bond and the Structure of Molecules and Crystals, 3rd edn. (Cornell University Press, Ithaca, New York, I960).
- P. Rudolf, M.S. Golden, and P.A. Briihwiler, J. of El. Spectroscopy and Rel. Phen. 100, 409 (1999).
- D.M. Poirier, C.G. Olson, and J.H. Weaver, Phys. Rev. В 52, R11662 (1995) — P.J. Benning, F. Stepniak, and J.H. Weaver, Phys. Rev. В 48, 9086 (1993).
- В. Verberck, V.N. Popov, A.V. Nikolaev, D. Lamoen, J. Chem. Phys. 121, 321 (2004).
- B. Simovic, D. Jerome, F. Rachdi, G. Baumgartner, and L. Forro, Phys. Rev. Lett. 82, 2298 (1999).
- B. Simovic, D. Jerome, and L. Forro, Phys. Rev. В 63, 125 410 (2001).
- V. Brouet, H. Alloul, F. Quere, G. Baumgartner, and L. Forro, Phys. Rev. Lett. 82, 2131 (1999).
- V. Brouet, H. Alloul, and L. Forro, Phys. Rev. В 66, 155 123 (2002).
- A. Cheng and M.L. Klein, J. Chem. Phys. 95, 6750 (1991) — M. Sprik, A. Cheng, and M.L. Klein, J. Chem. Phys. 96, 2027 (1992).
- F. Keffer, and T. Oguchi, Phys. Rev. 115, 1428 (1959).
- R. McWeeny, Methods of molecular quantum mechanics, (Academic Press, London, 1992).
- V.S. Mironov, J. Phys.: Condens. Matter 8, 10 551 (1996).
- E. Dagotto, Rev. Mod. Physics 66, 763 (1994).
- П. H. Дьячков, А. В. Николаев, ДАН, 344, N 5, 633 (1995).
- А. В. Николаев, П. Н. Дьячков, ДАН, 348, N 1, 57 (1996).
- П. Н. Дьячков, О. М. Кепп, А. В. Николаев, ДАН, 365, N 2, 215 (1999).
- П. Н. Дьячков, А. В. Николаев, ДАН, 353, N 2, 203 (1997).
- B.W. Smith, М. Monthioux, and D.E. Luzzi, Nature (London) 396, 323 (1998).
- K. Hirahara, S. Bandow, K. Suenaga, H. Kato, T. Okazaki, H. Shinohara, and S. lijima, Phys. Rev. В 64, 115 420 (2001).
- K.H. Michel, B. Verberck, and A.V. Nikolaev, Phys. Rev. Lett. 95, 185 506 (2005).
- B. Verberck, K.H. Michel, and A.V. Nikolaev, Ful., Nan. and Carbon Nanostruct. 14, 171 (2006).
- A. Trave, F.J. Ribeiro, S.G. Louie, and M.L. Cohen, Phys. Rev. В 70, 205 418 (2004).
- S. Okada, M. Otani, and A. Oshiyama, Phys. Rev. В 67, 205 411 (2003).
- M. Hodak, and L.A. Girifalco, Phys. Rev. В 68, 85 405 (2003).
- R. Pfeiffer, H. Kuzmany, T. Pichler, H. Kataura, Y. Achiba, M. Melle-Franco, and F. Zerbetto, Phys. Rev. В 69, 35 404 (2004).
- K.H. Michel, B. Verberck, and A.V. Nikolaev, Eur. Phys. J. В 48, 113 (2005).
- В. Verberck and K.H. Michel, Phys. Rev. В 74, 45 421 (2006).
- A.V. Nikolaev, A.V. Bibikov, A.V. Avdeenkov, I.V. Bodrenko, and E.V. Tkalya, Phys. Rev. В 79, 45 418 (2009).
- L. Malysheva and A. Onipko, Phys. Rev. Lett. 100, 186 806 (2008).
- K. Nakada, M. Fujita, G. Dresselhaus, M.S. Dresselhaus, Phys. Rev. В 54, 17 954 (1996).
- M. Y. Han, В. Ozyilmaz, Y. Zhang, P. Kim, Phys. Rev. Lett. 98, 206 805 (2007).
- K. Wakabayashi, M. Fujita, H. Ajiki, M. Sigrist, Phys. Rev. В 59, 8271 (1999).
- Y.-W. Son, M. L. Cohen, S. G. Louie, Phys. Rev. Lett. 97, 216 803 (2006).
- M. Fujita, K. Wakabayashi, K. Nakada, K. Kusakabe, J. Phys. Soc. Jpn. 65, 1920 (1996).
- P. R. Wallace, Phys. Rev. 71, 622 (1947).
- J.-C. Charlier, X. Blase, S. Roche, Rev. Mod. Phys. 79, 677 (2007).
- P. Morin, J. Magn. Magn. Mat. 71, 151 (1988).
- J. M. Effantin, J. Rossat-Mignod, P. Burlet, H. Bartholin, S. Kunii, T. Kasuya, J. Magn. Magn. Mater. 47&48, 145 (1985).
- M. Hiroi, S. Kobayashi, M. Sera, N. Kobayashi, S. Kunii, Phys. Rev. B, 55, 8339 (1997).
- D. Gignoux and D. Schmitt, Handbook on the Physics and Chemistry of Rare Earths, ed. K. A. Jr. Gschneidner, L. Eyring, v. 20, p. 355 (1995).
- D. C. Koskenmaki and K. A. Gschneidner, Jr., Handbook on the Physics and Chemistry of Rare Earths, ed. K. A. Gschneidner, Jr., and L. Eyring (Amsterdam: North-Holland, 1978), p. 337.
- M. R. MacPherson, G. E. Everett, D. Wohlleben, M. B. Maple, Phys. Rev. Lett. 26, 20 (1971).
- D. C. Koskimaki, K. A. Gschneidner, Jr., Phys. Rev. В 11, 4463 (1975).
- A. P. Murani, Z. A. Bowden, A. D. Taylor, R. Osborn, W. G. Marshall, Phys. Rev. В 48, 13 981 (1993).
- P. Zielinski, K. Parlinski, J. Phys. C: Solid State Phys., 17, 3287 (1984).
- D. Lamoen, К. H. Michel, Phys. Rev. В 48, 807 (1993).
- F. F. Voronov, V. A. Goncharova, О. V. Stal’gorova, Sov. Phys. JETP 49, 687 (1979).
- M.I. McMahon and R.J. Nelmes, Phys. Rev. Lett. 78, 3884 (1997).
- S. Endo, H. Sasaki and T. Mitsui, J. Phys. Soc. Jap. 42, 882 (1977).
- Г. Элиашберг и Г. Капеллманн, Письма в ЖЭТФ, 67, 111 (1998).
- Е. P. Wigner, Group Theory, and its application to the quantum mechanics of atomic spectra, (Academic Press, 1959).
- G. V. lonova and A. V. Nikolaev, Phys. Stat. Sol. (b) 162, 451 (1990).
- P. Wachter, in Handbook on the Physics and Chemistry of Rare Earths, v. 19, eds. K.A. Gschneidner, Jr., L. Eyring, G.H. Lander and G.R. Choppin (Elsevier Science, Amsterdam, 1994), p. 177.
- R. Suryanarayanan, G. Guntherodt, J.L. Freeouf, F. Holtzberg, Phys. Rev. В 12, 4215 (1975).
- Y. Lassailly, C. Vettier, F. Holtzberg, A. Benoit, J. Flouquet, Solid State Commun. 52, 717 (1984).
- T. Matsumura, T. Kosaka, J. Tang, T. Matsumoto, H. Takahashi, N. Mori, T. Suzuki, Phys. Rev. Lett. 78, 1138 (1997).
- P. Link, I.N. Goncharenko, J.M. Mignot, T. Matsumura, T. Suzuki, Phys. Rev. Lett. 80, 173 (1998).
- S. Heathman, T. Le Bihan, S. Darracq, C. Abraham, D.J.A. De Ridder, U. Benedict, K. Mattenberger, O. Vogt, J. Alloys Compd. 230, 89 (1995).
- J. Tang, T. Kosaka, T. Matsumura, T. Matsumoto, N. Mori, T. Suzuki, Solid State Commun. 100, 571 (1996).
- T. Matsumura, Y. Haga, Y. Nemoto, S. Nakamura, T. Goto, T. Suzuki, Physica В 206−207, 380 (1995) — Т. Matsumura, S. Nakamura, T. Goto,
- H. Shida, T. Suzuki, Physica В 223−224, 385 (1996).
- Т. Matsumura, S. Nakamura, T. Goto, H. Amitsuka, K. Matsuhira, T. Sakakibara, T. Suzuki, J. Phys. Soc. Jpn 67, 612 (1998).
- P. Link, A. Gukasov, J.M. Mignot, T. Matsumura, T. Suzuki, Phys. Rev. Lett. 80, 4779 (1998).
- P. Link, T. Matsumura, A. Gukasov, J.-M. Mignot, T. Suzuki, Physica В 281−282, 569 (2000).
- J.-M. Mignot, P. Link, A. Gukasov, I.N. Goncharenko, T. Matsumura, T. Suzuki, Physica В 281−282, 470 (2000).
- J.-M. Mignot, I.N. Goncharenko, P. Link, T. Matsumura, A. Gukasov, T. Suzuki, Physica В 276, 756 (2000).
- P. Morin and D. Schmitt, in Ferromagnetic Materials, K.H.J. Buschow and E.P. Wohlfarth Eds. (North-Holland, Amsterdam, 1990), v. 5, p. 1.
- R. Shiina, H. Shiba, O. Sakai, J. Phys. Soc. Jpn 68, 2105 (1999).
- R. Shiina, H. Shiba, O. Sakai, J. Phys. Soc. Jpn 68, 2390 (1999).
- E. Bucher, K. Andres, F.J. di Salvo, J.P. Maita, A.C. Gossard, A.S. Cooper,
- G.W. Hull, Jr., Phys. Rev. В 11, 500 (1975).
- H.R. Ott and B. Liithi, Z. Phys. В 28, 141 (1977).
- E. Clementyev, R. Kohler, M. Braden, J.M. Mignot, C. Vettier, T. Matsumura, T. Suzuki, Physica В 230−232, 735 (1997).
- В.В. Triplett, Y. Mahmud, N.S. Dixon, S.S. Hanna, F. Holtzberg, Phys. Lett. A 67, 151 (1978).
- T. Kasuya, J. Phys. Soc. Jpn. 63, 3936 (1994).
- K.R. Lea, M.J.M. Leask, W.P. Wolf, J. Phys. Chem. Solids 23, 1381 (1962).
- K.W.H. Stevens, Proc. Phys. Soc. A65, 209 (1952).
- M.T. Hutchings, in Solid State Physics: Advances in Research and Applications, Eds. F. Seitz and D. Turnbull, v. 16, (Academic Press, New York, 1964), p. 227.
- D.J. Newman, Adv. Phys. 20, 197 (1971).
- D.J. Newman, J. Phys. F: Met. Phys. 13, 1511 (1983).
- D.J. Singh, Planewaves, Pseudopotentials and the LAPW method, (Kluwer, Boston, 1994).
- O.B. Ковалев, Неприводимые представления пространственных групп, (Киев, Изд-во АН УССР, 1961).
- К. Parlinski, Z. Phys. В Condensed Matter 56, 51 (1984).
- Н. Yasuda and Т. Yamamoto, Prog. Theor. Phys. 45, 1458 (1971) — R. Heid, Phys. Rev. В 47, 15 912 (1993).
- A.V. Nikolaev and K.H. Michel, Phys. Rev. В 66, 54 103 (2002).
- E.F. Westrum, J.B. Hatcher, and D.W. Osborne, J. Chem. Phys. 21, 419 (1953) — D.W. Osborne and E.F. Westrum, ibid. 21, 1884 (1953).
- P. Erdos and J. Robinson, The Physics ofActinide Compounds (New York, London: Plenum Press, 1983).
- P. Santini, R. Lemanski, and P. Erdos, Adv. Phys. 48, 537 (1999).
- B.C. Frazer, G. Shirane, D.E. Cox, and C.E. Olsen, Phys. Rev. 140, A1448 (1965) — B.T.M. Willis and R.I. Taylor, Phys. Lett. 17, 188 (1965).
- R. Caciuffo, G. Amoretti, P. Santini, G.H. Lander, J. Kulda, and P. de V. Du Plessis, Phys. Rev. В 59, 13 892 (1999).
- P. Erdos, G. Solt, Z. Zolnierek, A. Blaise, and J.M. Fournier, Physica 102B, 164 (1980).
- B.D. Dunlap, G.M. Kalvius, D.J. Lam, and M.B. Brodsky, J. Phys. Chem. Solids 29, 1365 (1968) — R. Caciuffo, G.H. Lander, J.C. Spirlet, J.M. Fournier, W.F. Kuhs, Solid State Comm. 64, 149 (1987).
- D. Mannix, G.H. Lander, J. Rebizant, R. Caciuffo, N. Bernhoeft, E. Lidstrom, and C. Vettier, Phys. Rev. В 60, 15 187 (1999).
- D. Malterre, M. Grioni, Y. Baer, Adv. Phys. 45, 299 (1996).
- J. L. Sarrao, Physica В 259−261, 128 (1999).
- P. Santini and G. Amoretti, Phys. Rev. Lett. 85, 2188 (2000).
- J.A. Paixao, C. Detlefs, M.J. Longfield, R. Caciuffo, P. Santini, N. Bernhoeft, J. Rabizant, and G.H. Lander, Phys. Rev. Lett. 89, 187 202
- V. von Barth and L. Hedin, J. Phys. С 5, 1629 (1972).
- G. Amoretti, A. Blaise, R. Caciuffo, D. Di Cola, J.M. Fournier, M.T. Hutchings, G.H. Lander, R. Osborn, A. Severing, and A.D. Taylor, J. Phys.: Condens. Matter 4, 3459 (1992).
- W.C. Martin, R. Zalubas, and L. Hagan, Atomic Energy Levels The Rare-Earth Elements, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. (U.S.) 60 (1978) — NIST Atomic Spectra Database (http://physics.nist.gov/PhysRefData/ASD/index.html).
- A.V. Nikolaev and P.N. Dyachkov, Int. J. Quantum Chem. 89, 57 (2002) — ibid. 93, 375 (2003).
- M. Weinert, J. Math. Phys. 22, 2433 (1981).
- A. V. Nikolaev and К. H. Michel, Phys. Rev. В 68, 54 112 (2003).
- J.M. Friedt, F.J. Litterst, and J. Rebizant, Phys. Rev. В 32, 257 (1985).
- P.W. Anderson, Phys. Rev. 124, 41 (1961).
- C. Zener, Phys. Rev. 81, 440 (1951) — ibid. 82, 403 (1951).
- J. Mulak, Z. Gajek, The effective crystal field potential, (Elsevier, Amsterdam, 2000).
- J. P. Elliott and P. G. Dawber, Symmetry in Physics, The MacMillan Press Ltd., London, 1979: vol. 2, Chap. 17.
- A.V. Nikolaev, Phys. Rev. В 71, 165 102 (2005).
- G.A. Gehring and K.A. Gehring, Rep. Prog. Phys. 38, 1 (1975).2002).