One-dimensional versus two-dimensional correlation effects in the oxyhalides TiOCl and TiOBr

Abstract

We have performed a comparative study of the electronic structures of the spin-Peierls systems TiOCl and TiOBr by means of photoemission spectroscopy and density functional calculations. While the overall electronic structure of these isostructural compounds is qualitatively similar, the bromide appears to be less one-dimensional. We present a quantitative analysis of the experimental dispersions in terms of exchange constant J and hopping integral t as well as a discussion of the qualitative spectral features. From that we conclude that despite the one-dimensional physics triggering the ground state in both compounds a proper description of the normal state electronic structure has to take into account the anisotropic frustrated interchain interactions on the underlying triangular lattice.

5 pages, 4 figures

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Cited by in corpus (9)

• Electronic structure of the two-dimensional Heisenberg antiferromagnet VOCl: a multi-orbital Mott insulator
• Mott-Hubbard gap closure and structural phase transition in the oxyhalides TiOBr and TiOCl under pressure
• Photoemission of a doped Mott insulator: spectral weight transfer and qualitative Mott-Hubbard description
• Density functional study of the electronic and vibrational properties of TiOCl
• Cluster Dynamical Mean-field calculations for TiOCl
• Momentum-resolved single-particle spectral function for TiOCl from a combination of density functional and variational cluster calculations
• Spin-charge decoupling and the photoemission line-shape in one dimensional insulators
• Unoccupied electronic structure of TiOCl studied by x-ray absorption near-edge spectroscopy
• Pressure-induced Spin-Peierls to Incommensurate Charge-Density-Wave Transition in the Ground State of TiOCl