Lattice embedding and equilibrium geometry of metal-halogen chains in the two-band extended Hubbard model
Data(s) |
01/04/1994
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Resumo |
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 (epsilon(M)) and the strength of electron-electron interactions at the metal site (U(M)). The equilibrium geometry studies on isolated chains show that the MX chains tend to distort for alternating epsilon(M) and small U(M) values. |
Formato |
application/pdf |
Identificador |
http://eprints.iisc.ernet.in/36060/1/Lattice.pdf Anusooya, Y and Ramasesha, S (1994) Lattice embedding and equilibrium geometry of metal-halogen chains in the two-band extended Hubbard model. In: Proceedings of the Indian Academy of Sciences - Chemical Sciences, 106 (2). pp. 433-443. |
Publicador |
Indian Academy of Sciences |
Relação |
http://www.springerlink.com/content/j1607j56j101787k/ http://eprints.iisc.ernet.in/36060/ |
Palavras-Chave | #Solid State & Structural Chemistry Unit |
Tipo |
Journal Article PeerReviewed |