Advertisement

Lattice embedding and equilibrium geometry of metal-halogen chains in the two-band extended Hubbard model

  • Y. Anusooya
  • S. Ramasesha
Article
  • 15 Downloads

Abstract

Two-band extended Hubbard model studies show that the shift in optical gap of the metal-halogen (MX) chain upon embedding in a crystalline environment depends upon alternation in the site-diagonal electron-lattice interaction parameter (εM) and the strength of electron-electron interactions at the metal site (UM). The equilibrium geometry studies on isolated chains show that the MX chains tend to distort for alternating εM and smallU M values.

Keywords

Two-band extended Hubbard model lattice embedding equilibrium geometry metal-halogen chains 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Aoki R, Hamaue Y, Kida S, Yamashita M, Teramae T, Furuta Y and Kawamori A 1982Mol. Cryst. Liq. Cryst. 81 301CrossRefGoogle Scholar
  2. Bishop A R and Gammel T J 1989Synth. Met. 29 F151CrossRefGoogle Scholar
  3. Conradson S D, Stroud M A, Zietlow M H, Swanson B I, Baeriswyl D and Bishop A R 1988Solid State Commun. 65 723CrossRefGoogle Scholar
  4. Coulson C A 1939Proc. R. Soc. London A169 413Google Scholar
  5. Fanwick P E and Huckaby J L 1982Inorg. Chem. 21 3067CrossRefGoogle Scholar
  6. Gammel J T, Saxena A, Datistic I, Bishop A R and Thillpot S R 1992Phys. Rev. B45 6408Google Scholar
  7. Girlando A and Painelli A 1991Synth. Met. 41-43 2721CrossRefGoogle Scholar
  8. Nasu K 1984J. Phys. Soc. Jpn. 53 427CrossRefGoogle Scholar
  9. Okamoto H, Okaniva K, Mitani T, Toriumi K and Yamashita M 1991Solid State Commun. 77 465CrossRefGoogle Scholar
  10. Pegiorgi L, Watcher P, Haruki M and Kurita S 1989Phys. Rev. B40 3285Google Scholar
  11. Ramasesha S, Albert I D L and Sinha B 1991Mol. Phys. 72 537CrossRefGoogle Scholar
  12. Ramasesha S and Soos Z G 1984J. Chem. Phys. 80 3278CrossRefGoogle Scholar
  13. Ramasesha S and Soos Z G 1993J. Chem. Phys. 98 4015CrossRefGoogle Scholar
  14. Ramasesha S and Soos Z G inValence bond theory and chemical structure (eds) D J Klein and N Trinajstic (Amsterdam: Elsevier)Google Scholar
  15. Tanino H and Kobayashi K 1983J. Phys. Soc. Jpn. 52 1446CrossRefGoogle Scholar
  16. Toriumi K, Okamoto H and Bandow S 1990Mol. Cryst. Liq. Cryst. 181 333CrossRefGoogle Scholar
  17. Tosi M P 1964Solid State Commun. 16 1Google Scholar
  18. Wada Y, Mitani M and Koda T 1985J. Phys. Soc. Jpn. 54 3143CrossRefGoogle Scholar
  19. Yamashita M, Toriumi K and Ito T 1983Inorg. Chem. 22 1566CrossRefGoogle Scholar
  20. Yamashita M, Toriumi K and Ito T 1985Acta Crystallogr. C41 876Google Scholar

Copyright information

© Indian Academy of Sciences 1994

Authors and Affiliations

  • Y. Anusooya
    • 1
  • S. Ramasesha
    • 1
    • 2
  1. 1.Solid State and Structural Chemistry UnitIndian Institute of ScienceBangaloreIndia
  2. 2.Jawaharlal Nehru Centre for Advanced Scientific ResearchIndian Institute of Science CampusBangaloreIndia

Personalised recommendations