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Electronic structure of $NaCuO_2$

Nimkar, Seva and Sharma, DD and Krishnamurthy, HR (1993) Electronic structure of $NaCuO_2$. In: Physical Reveiw B: Rapid Communication, 47 (16). pp. 10927-10930.

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Official URL: http://prb.aps.org/abstract/PRB/v47/i16/p10927_1

Abstract

We analyze the experimental core-level photoemission and x-ray absorption (XA) spectra pf $NaCuO_2$ 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 \Delta . We also perform mean-field calculations for the electronic structure for the edge-shared one-dimensional $CuO_2$ lattice of $NaCuO_2$ 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: Journal Article
Additional Information: Copyright of this article belongs to American Physical Society.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Division of Physical & Mathematical Sciences > Physics
Date Deposited: 08 Jul 2008
Last Modified: 06 Jan 2011 08:02
URI: http://eprints.iisc.ernet.in/id/eprint/14860

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