Nimkar, Seva ; Sarma, D. D. ; Krishnamurthy, H. R. (1993) Electronic structure of NaCuO2 Physical Review B, 47 (16). pp. 10927-10930. ISSN 0163-1829
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Official URL: http://link.aps.org/doi/10.1103/PhysRevB.47.10927
Related URL: http://dx.doi.org/10.1103/PhysRevB.47.10927
Abstract
We analyze the experimental core-level photoemission and x-ray absorption (XA) spectra of NaCuO2 in terms of an Anderson-impurity Hamiltonian including the band-structure effects of the oxygen sublattice and show that the XA results unambiguously indicate a negative value of the charge-transfer energy Δ. We also perform mean-field calculations for the electronic structure for the edge-shared one-dimensional CuO2 lattice of NaCuO2 within the multiband Hubbard Hamiltonian and show that the origin of the insulating nature lies in band-structure rather than correlation effects, and that the gap has a pd-p character.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Physical Society. |
| ID Code: | 17700 |
| Deposited On: | 16 Nov 2010 12:50 |
| Last Modified: | 06 Jun 2011 05:54 |
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