On the electronic structure of CaCuO2 and SrCuO2
H. Rosner, M. Divis, K. Koepernik, S. -L. Drechsler, H. Eschrig
Abstract
Recent electronic structure calculations for the prototypical lowdimensional cuprate compounds CaCuO2 ans SrCuO2 performed by Wu et. al. (J. Phys.: Condens. Matter v. 11 p.4637 (1999))are critically reconsidered, applying high precision full-potential bandstructure methods. It is shown that the bandstructure calculations presented by the authors contain several important inconsistencies, which make their main conclusions highly questionable.
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