Nature of the spin-singlet ground state in CaCuGe2O6
Roser Valenti, T. Saha-Dasgupta, Claudius Gros
Abstract
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 which shows a spin-singlet behavior induced by third nearest neighbor copper pairs.
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