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Electronic Structure of Bimetallic Clusters Based on Alkali Elements

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Theory of Atomic and Molecular Clusters

Part of the book series: Springer Series in Cluster Physics ((CLUSTER))

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Abstract

In this paper we present a review on the alloying effects on the energetic, structural, electronic, and optical properties of small bimetallic clusters. Density Functional Theory is used to obtain the ground state electronic structure and the optical response of the clusters. The stability of mixed alkali metal clusters can be understood in terms of the electronic shell model. Electronic shell closing effects also appear in alkali clusters doped with higher valence metals, although reordering zn the electronic levels occurs in some cases giving rise to different magic numbers. Ab initio calculations support this view. The influence of the geometrical structure (mixed or segregated) on the collective electronic response of bimetallic clusters is analyzed. Finally we study clusters which may have relevance for understanding the properties of liquid ionic alloys.

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References

  1. W. A. de Heer, W. D. Knight, M. Y. Chou, and M. L. Cohen, Solid State Phys. 40, 93 (1987)

    Article  Google Scholar 

  2. M. Brack, Rev. Mod. Phys. 65, 677 (1993)

    Article  ADS  Google Scholar 

  3. I. Katakuse, T. Ichihara, Y. Fujita, T. Matsuo, T. Sakurai, and H. Matsuda, Int. J. Mass Spectrom. Ion Proc. 67, 229 (1985)

    Article  Google Scholar 

  4. J. Tiggesbäumker, L. Köller, K. H. Meiwes-Broer, and A. Liebsch, Phys. Rev. A 48, Rl749 (1993)

    Google Scholar 

  5. E. K. Parks, L. Zhu, J. Ho, and S. J. Riley, J. Chem. Phys. 100, 7206 (1994)

    Article  ADS  Google Scholar 

  6. D. Reinhardt, B. D. Hall, D. Ugarte, and R. Monot, Z. Phys. D 26, 576 (1993)

    Google Scholar 

  7. M. Pellarin, B. Baguenard, J. L. Vialle, J. Lermé, M. Broyer, J. Miller, and A. Pérez, Chem. Phys. Lett. 217, 349 (1994)

    Article  ADS  Google Scholar 

  8. S. E. Apsel, J. W. Emmert, J. Deng, and L. Blomfield, Phys. Rev. Lett. 76, 1441 (1996)

    Article  ADS  Google Scholar 

  9. “Theory of the Inhomogeneons Electron Gas”, Ed. N. H. March and S. Lundqvist, Plenum Press, New York, (1983)

    Google Scholar 

  10. K. Clemenger, Phys. Rev. B 32, 1359 (1985); W. Ekardt and Z. Penzar, Phys. Rev. B 38, 4273 (1988); C. Kohl, B. Montag, and P. G. Reinhard, Z. Phys. D 35, 57 (1995)

    ADS  Google Scholar 

  11. M. M. Kappes, M. Schär, and E. J. Schumacher, J. Phys. Chem. 91, 658 (1987)

    Article  Google Scholar 

  12. M. P. Iniguez, M. J. Lopez, J. A. Alonso, and J. M. Soler, Z. Phys. D 11, 163 (1989)

    ADS  Google Scholar 

  13. M. J. Lopez, M. P. Iniguez, and J. A. Alonso, Phys. Rev. B 41, 5636 (1990)

    ADS  Google Scholar 

  14. A. Bol, G. Martin, J. M. Lopez, and J. A. Alonso, Z. Phys. D 28, 311 (1993)

    ADS  Google Scholar 

  15. P. Ballone, W. Andreoni, R. Car, and M. Parrinello, Europhys. Lett. 8, 73 (1989)

    Article  ADS  Google Scholar 

  16. A. Mananes, M. P. Iniguez, M. J. Lopez, and J. A. Alonso, Phys. Rev. B 42, 5000 (1990)

    ADS  Google Scholar 

  17. S. A. Rice, Z. Phys. Chem. 156, S53 (1988)

    Article  Google Scholar 

  18. A. Bol, J. A. Alonso, J. M. Lopez, and A. Mananes, Z. Phys. D 30, 349 (1994)

    ADS  Google Scholar 

  19. A. Rubio, L. C. Balbás, and J. A. Alonso, Phys. Rev. B 45, 13657 (1992)

    ADS  Google Scholar 

  20. A. Rubio and Ll. Serra, Z. Phys. D 26, S118 (1993); Phys. Rev. B 48, 18222 (1993)

    ADS  Google Scholar 

  21. A. Bol, J. A. Alonso, and J. M. Lopez, Int. J. Quantum. Chem. 56, 839 (1995)

    Article  Google Scholar 

  22. L. C. Balbás, A. Rubio, and M. B. Torres, Z. Physik D 31, 269 (1994)

    ADS  Google Scholar 

  23. L. C. Balbás, A. Rubio, and M. B. Torres, Computat. Mater. Sci. 2, 509 (1994)

    Article  Google Scholar 

  24. A. Rubio, J. A. Alonso, X. Blase, L. C. Balbás, and S. G. Louie, Phys. Rev. Lett. 77, 247 (1996)

    Article  ADS  Google Scholar 

  25. J. L. Martins, J. Buttet, and R. Car, Phys. Rev. B 31, 1804 (1985)

    ADS  Google Scholar 

  26. S. Pollack, C. R. C. Wang, T. A. Dahlseid, and M. M. Kappes, J. Chem. Phys. 96, 4918 (1992)

    Article  ADS  Google Scholar 

  27. V. Bonačić-Koutecký, J. Gaus, M. Guest, and J. Koutecký, J. Chem. Phys. 96, 4934 (1992)

    Article  ADS  Google Scholar 

  28. T. A. Dahlseid, M. M. Kappes, J. A. Pople, and M. A. Ratner, J. Chem. Phys. 96, 4924 (1992)

    Article  ADS  Google Scholar 

  29. M. M. Kappes, M. Schär, C. Yeretzian, U. Heiz, A. Vayloyan, and E. Schumacher, Physics and Chemistry of Small Clusters, NATO ASI Series B, vol. 158 (Ed.P. Jena, B. K. Rao, and S. N. Khanna), Plenum Press, New York (1987) p. 263

    Google Scholar 

  30. C. Yeretzian, J. Phys. Chem. 99, 123 (1995)

    Article  Google Scholar 

  31. C. Baladron and J. A. Alonso, Physica B 154, 73 (1988)

    ADS  Google Scholar 

  32. S. B. Zhang, M. L. Cohen, and M. Y. Chou, Phys. Rev. B 36, 3455 (1987)

    ADS  Google Scholar 

  33. U. Röthlisberger and W. Andreoni, Chem. Phys. Lett. 198, 478 (1992)

    Article  ADS  Google Scholar 

  34. C. Yannouleas, P. Jena, and S. N. Khanna, Phys. Rev. B 46, 9751 (1992)

    ADS  Google Scholar 

  35. W. Pewestorf, V. Bonačić-Koutecký, and J. Koutecký, J. Chem. Phys. 89, 5794 (1988)

    Article  ADS  Google Scholar 

  36. P. Fantucci, V. Bonačić-Koutecký, W. Pewestorf, and J. Koutecký, J.Chem. Phys. 91, 4229 (1989)

    Article  ADS  Google Scholar 

  37. V. Bonačić-Koutecký, P. Fantucci, C. Fuchs, J. Koutecký, and J. Pittner, Z. Phys. d 26, 17 (1993)

    ADS  Google Scholar 

  38. V. Bonačić-Koutecký, L. Češpiva, P. Fantucci, C. Fuchs, J. Koutecký, and J. Pittner, J. Chem. Phys. 186, 275 (1994)

    Google Scholar 

  39. H.-P. Cheng, R. N. Barnett, and U. Landman, Phys. Rev. b 48, 1820 (1993)

    ADS  Google Scholar 

  40. N. Troullier and J. L. Martins, Phys. Rev. b 43, 1993 (1991)

    ADS  Google Scholar 

  41. V. Bonačić-Koutecký, P. Fantucci, and J. Koutecký, Chem. Rev. 91, 1035 (1991)

    Article  Google Scholar 

  42. D. Nehete, V. Shah, and D. G. Kanhere, Phys. Rev. B 53, 2126 (1996)

    ADS  Google Scholar 

  43. P. K. Acharya, L. J. Bartolotti, S. B. Sears, and R. G. Parr, Proc. Natl. Acad. Sci. USA 77, 6978 (1980)

    Article  ADS  Google Scholar 

  44. C. Yeretzian, U. Röthlisberger, and E. Schumacher, Chem. Phys. Lett. 237, 334 (1995)

    Article  ADS  Google Scholar 

  45. C. J. Marsden, Chem.Phys. Lett. 245, 475 (1995)

    Article  ADS  Google Scholar 

  46. J. Chang, M. J. Stott, and J. A. Alonso, J. Chem. Phys. 104, 8043 (1996)

    Article  ADS  Google Scholar 

  47. P. von R. Schleyer and J. Kapp, Chem. Phys. Lett. 255, 363 (1996)

    Article  ADS  Google Scholar 

  48. L. C. Balbás and J. L. Martins, Phys. Rev. B 54, 2937 (1996)

    ADS  Google Scholar 

  49. R. Car and Parrinello, Phys. Rev. Lett. 55, 2571 (1985)

    Article  ADS  Google Scholar 

  50. A. D. Becke, Phys. Rev. A 38, 3098 (1988); J. Chem. Phys. 98, 5648 (1993)

    ADS  Google Scholar 

  51. P.von R. Schleyer, in: New horizons of quantum chemistry, eds P.O. Löwdin and B. Pullman (Reidel, Dordrecht, 1983) p. 95

    Chapter  Google Scholar 

  52. E. U. Wiirthwein, K. D. Sen, J. A. Pople, and P. von R. Schleyer, Inorg. Chem. 22, 496 (1983)

    Article  Google Scholar 

  53. H. Kudo, Nature 355, 432 (1992)

    Article  ADS  Google Scholar 

  54. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992)

    Article  ADS  Google Scholar 

  55. R. Stumpf and M. Schemer, Comp. Phys. Commun. 79, 447 (1994)

    Article  ADS  Google Scholar 

  56. A. L. Allred and E. J. Rochow, J. Inorg. Nucl. Chem. 5, 264 (1958)

    Article  Google Scholar 

  57. T. Bergman, H. Limberger, and T. P. Martin, Phys. Rev. Lett. 60, 1767 (1988)

    Article  ADS  Google Scholar 

  58. U. Lammers, A. Mananes, G. Borstel, and J. A. Alonso, Solid State Commun. 71, 591 (1989)

    Article  ADS  Google Scholar 

  59. U. Lammers, G. Borstel, A. Mananes, and J. A. Alonso, Z. Phys. D 17, 203 (1990)

    ADS  Google Scholar 

  60. A. Mananes, J. A. Alonso, U. Lammers, and G. Borstel, Phys. Rev. B 44, 7273 (1991)

    ADS  Google Scholar 

  61. W. van der Lugt, Phys. Scripta T 39, 372 (1991)

    Article  ADS  Google Scholar 

  62. E. Zintl and G. Woltersdorf, Z. Elektrochem. 41, 876 (1935)

    Google Scholar 

  63. G. A. deWijs, G. Pastore, A, Selloni, and W. van der Lugt, J. Chem. Phys. 103, 5031(1995)

    Article  Google Scholar 

  64. L. M. Molina, M. J. Lopez, J. A. Alonso, and M. J. Stott, Ann. Physik 6, 35 (1997)

    Article  ADS  Google Scholar 

  65. R. Pis Diez, M. P. Iniguez, J. A. Alonso, and J. A. Aramburu, J. Molec. Struct. Theochem. 330, 267 (1995)

    Article  Google Scholar 

  66. K. H. Johnson, Adv. Quantum Chem. 7, 143 (1973)

    Article  ADS  Google Scholar 

  67. L. M. Molina, M. J. Lopez, A. Rubio, J. A. Alonso, and M. J. Stott, Int. J. Quantum Chem. 69, 341 (1998)

    Article  Google Scholar 

  68. J. A. Alonso, L. M. Molina, M. J. Lopez, A. Rubio, and M. J. Stott, Chem. Phys. Lett. 289, 451 (1998)

    Article  ADS  Google Scholar 

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Authors and Affiliations

  1. Departamento de Física Teórica, Universidad de Valladolid, 47011, Valladolid, Spain

    Julio A. Alonso & María J. López

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  1. Julio A. Alonso
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  2. María J. López
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Editors and Affiliations

  1. Chemistry Division, Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, IL, 60439, USA

    Julius Jellinek

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© 1999 Springer-Verlag Berlin Heidelberg

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Alonso, J.A., López, M.J. (1999). Electronic Structure of Bimetallic Clusters Based on Alkali Elements. In: Jellinek, J. (eds) Theory of Atomic and Molecular Clusters. Springer Series in Cluster Physics. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-58389-6_11

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  • DOI: https://doi.org/10.1007/978-3-642-58389-6_11

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-63570-0

  • Online ISBN: 978-3-642-58389-6

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