Electronic structure of one-dimensional cuprates

K. Maiti, D. D. Sarma, Takashi Mizokawa, A. Fujimori

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

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 for 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 Δ for these one-dimensional systems is significantly smaller than other cuprates such as the high-Tc oxides (two-dimensional) and CuO (three-dimensional). Such a small Δ suggests the presence of the bare upper Hubbard band within the oxygen p bandwidth and thus provides an example of a correlated covalent insulator.

Original languageEnglish
Pages (from-to)1572-1578
Number of pages7
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume57
Issue number3
Publication statusPublished - 1998 Jan 15
Externally publishedYes

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cuprates
Electronic structure
electronic structure
Hamiltonians
Core levels
Magnetic structure
Valence bands
insulators
Oxides
Charge transfer
Energy gap
Oxygen
Bandwidth
Electrons
charge transfer
bandwidth
valence
oxides
Experiments
oxygen

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Electronic structure of one-dimensional cuprates. / Maiti, K.; Sarma, D. D.; Mizokawa, Takashi; Fujimori, A.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 57, No. 3, 15.01.1998, p. 1572-1578.

Research output: Contribution to journalArticle

Maiti, K. ; Sarma, D. D. ; Mizokawa, Takashi ; Fujimori, A. / Electronic structure of one-dimensional cuprates. In: Physical Review B - Condensed Matter and Materials Physics. 1998 ; Vol. 57, No. 3. pp. 1572-1578.
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