Nov 20, 2002
Spin-singlet nature of various dimerized cuprates. From ab-initio to experiment
Roser Valenti, University of Dortmund
We investigate by means of ab-initio electronic structure analysis and
quantum Monte Carlo calculations the scenario where longer-ranged magnetic
interactions dominate over short-ranged interactions in the physical
description of compounds. This question is discussed, in particular, for
the case of CaCuGe2O6 -a system related to the spin-Peierls compound CuGeO3-
and the isotructural quantum spin systems KCuCl3 and TlCuCl3.
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