2006/10/04 by M. Hoinkis, M. Sing, S. Glawion +9
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Condensed Matter Physics #Anisotropy #Chemistry #Condensed matter physics #Crystal structure #Crystallography #Electronic structure #Ground state #Inorganic Chemistry and Materials #Isostructural #Lattice (music) #Materials science #Photoemission spectroscopy #Physics #Quantum mechanics #Spectral line #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.75.245124
5 pages, 4 figures
arxiv created 2006/10/04 · openalex publication_date 2007/06/25 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
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.