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arxiv: cond-mat/0202310 · v2 · submitted 2002-02-19 · ❄️ cond-mat

Nature of the spin-singlet ground state in CaCuGe2O6

classification ❄️ cond-mat
keywords interactionsspin-singletanalysisbehaviorcacugecacuge2o6calculationscarlo
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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 CaCuGe$_2$O$_6$ which shows a spin-singlet behavior induced by third nearest neighbor copper pairs.

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