Nature of the spin-singlet ground state in CaCuGe2O6

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 CaCuGe${}_2$O${}_6$ which shows a spin-singlet behavior induced by third nearest neighbor copper pairs.

5 pages, 5 figures. Revised version

References in corpus (2)

• Accessing the dynamics of large many-particle systems using Stochastic Series Expansion
• Modeling the electronic behavior of $\gamma$-LiV2O5: a microscopic study

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