Maiti, K and Sarma, DD (1998) Electronic structure of one-dimensional cuprates. In: Physical Review B, 57 (3). pp. 1572-1578.
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We have investigated the electronic structures of one-dimensional antiferromagnetic insulators Ca2CuO3 and Sr2CuO3 combining electron spectroscopic measurements and various calculations. While calculations based on a local-spin-density approach Tor the real magnetic structures fail to yield an insulating state, from our experiments we estimate the intrinsic band gaps in these materials to be about 1.7 eV (Ca2CuO3) and 1.5 eV (Sr2CuO3). Analysis of the core-level and the valence-band spectra in terms of model many-body Hamiltonians show that the charge-transfer energy Delta for these one-dimensional systems is significantly smaller than other cuprates, such as the high-T-c oxides (two-dimensional) and CuO (three-dimensional). Such a small Delta suggests the presence of the bare upper Hubbard band within the oxygen p bandwidth, and thus provides an example of a correlated covalent insulator.
| Item Type: | Journal Article |
|---|---|
| Publication: | Physical Review B |
| Publisher: | American Physical Society |
| Additional Information: | Copyright of this article belongs to American Physical Society. |
| Department/Centre: | Division of Chemical Sciences > Solid State & Structural Chemistry Unit |
| Date Deposited: | 03 Jun 2009 05:37 |
| Last Modified: | 03 Jun 2009 05:37 |
| URI: | http://eprints.iisc.ac.in/id/eprint/18512 |
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