Theoretical study of encapsulated alkali metal atoms in nanoporous channels of ITQ-4 zeolite: One-dimensional metals and inorganic electrides

Physical Review Letters

Volumn 93, Issue 21, 2004, Pages

  Li, Hong ^a   Mahanti, S D ^a  

^a MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI METAL ATOMS; ATOMIC CHAINS; INORGANIC ELECTRIDES; NANOPOROUS CHANNELS;

CHARGE TRANSFER; COMPUTER SIMULATION; GROUND STATE; LATTICE CONSTANTS; LIGHT ABSORPTION; NANOSTRUCTURED MATERIALS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; THERMODYNAMIC STABILITY; ZEOLITES;

ALKALI METALS;

EID: 37649026546     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.93.216406     Document Type: Article

References (23)

1. Daniel C. Mattis, The Many-Body Problem, An Encyclopedia of Exactly Solved Models in One Dimension (World Scientific, Singapore, 1993).
2. E. Dagotto and T. M. Rice, Science 271, 618 (1996).
3. T. M. Wallis, N. Nilius, and W. Ho, Phys. Rev. Lett. 89, 236802 (2002).
4. C. Guerret-Piecourt, Y. Le Bouar, A. Lolseau, and H. Pascard, Nature (London) 372, 761 (1994).
5. A. S. Ichimura and J. L. Dye, J. Am. Chem. Soc. 124, 1170 (2002).
6. S. B. Dawes, D. L. Ward, R. H. Huang, and J. L. Dye, J. Am. Chem. Soc. 108, 3534 (1986).
7. J. L. Dye, Science 247, 663 (1990).
8. D. P. Wernette, A. S. Ichimura, S. A. Urbin, and J. L. Dye, Chem. Mater. 15, 1441 (2003).
9. A. Matsuishi et al., Science 301, 626 (2003).
10. J. L. Dye, Science 301, 607 (2003).
11. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13 244 (1992).
12. H. Li and S. D. Mahanti, Mater. Res. Soc. Symp. Proc. 788, L10.8.1 (2004).
13. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999); G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994); G. Kresse and J. Furthmüller, J. Comput Mater. Sci. 6, 15 (1996).
14. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999); G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994); G. Kresse and J. Furthmüller, J. Comput Mater. Sci. 6, 15 (1996).
15. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999); G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994); G. Kresse and J. Furthmüller, J. Comput Mater. Sci. 6, 15 (1996).
16. P. A. Barrett et al., Chem. Mater. 9, 1713 (1997).
17. V. Petkov et al., Phys. Rev. Lett. 89, 075502 (2002).
18. Z. Li, J. Yang, J. G. Hou, and Q. Zhu, J. Am. Chem. Soc. 125, 6050 (2003).
19. R. E. Peierls, Quantum Theory of Solids (Clarendon, Oxford, 1955), p. 108.
20. M. P. Marder, Condensed Matter Physics (John Wiley & Sons, New York, 2000).
21. J. L. Dye (private communication).
22. Z. Li, J. Yang, J. G. Hou, and Q. Zhu, J. Chem. Phys. 120, 9725 (2004).
23. -1, the geometry relaxed to the one found by us. Clearly, experimental measurements such as PDF [15] will be able to resolve this rather dramatic difference.