Origin of the insulating state in NaCuO2
Data(s) |
01/04/1994
|
---|---|
Resumo |
We study the electronic structure of NaCuO2 by analysing experimental core level photoemission and X-ray absorption spectra using a cluster as well as an Anderson impurity Hamiltonian including the band structure of the oxygen sublattice. We show that the X-ray absorption results unambiguously establish a negative value of the charge transfer energy, A. Further, mean-field calculations for the edge-shared one-dimensional CuO2 lattice of NaCuO2 within the multiband Hubbard Hamiltonian show that the origin of the insulating nature lies in the band structure rather than in the correlation effects. LMTO-ASA band structure calculations suggest that NaCuO2 is an insulator with a gap of around 1 eV. |
Formato |
application/pdf |
Identificador |
http://eprints.iisc.ernet.in/36671/1/Origin.pdf Nimkar, S and Shanthi, N and Sarma, DD (1994) Origin of the insulating state in NaCuO2. In: Proceedings of the Indian Academy of Sciences - Chemical Sciences, 106 (2). pp. 393-405. |
Publicador |
Indian Academy of Sciences |
Relação |
http://www.springerlink.com/content/28u7j91566l87463/ http://eprints.iisc.ernet.in/36671/ |
Palavras-Chave | #Solid State & Structural Chemistry Unit #Physics |
Tipo |
Journal Article PeerReviewed |