Nature of the spin-singlet ground state in CaCuGe2O6

Details Nature of the spin-singlet ground state in CaCuGe2O6 Nature of the spin-singlet ground state in CaCuGe2O6

2002-02-19

arxiv.org/abs/cond-mat/0202310v2

Phys. Rev. B 66, 054426 (2002)

Physics

Condensed Matter

5 pages, 5 figures. Revised version

Scientific paper

10.1103/PhysRevB.66.054426

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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