Magnetic Susceptibilities of Spin-1/2 Antiferromagnetic Heisenberg Ladders and Applications to Ladder Oxide Compounds

D. C. Johnston; M. Troyer; S. Miyahara; D. Lidsky; K. Ueda; M. Azuma; Z. Hiroi; M. Takano; M. Isobe; Y. Ueda; M. A. Korotin; V. I. Anisimov; A. V. Mahajan; L. L. Miller

arXiv · cond-mat/0001147

Magnetic Susceptibilities of Spin-1/2 Antiferromagnetic Heisenberg Ladders and Applications to Ladder Oxide Compounds

D. C. Johnston·M. Troyer·S. Miyahara·D. Lidsky·K. Ueda·M. Azuma·Z. Hiroi·M. Takano·M. Isobe·Y. Ueda·M. A. Korotin·V. I. Anisimov·A. V. Mahajan·L. L. Miller

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Abstract

A comprehensive theoretical and experimental study is presented of the magnetic susceptibility versus temperature χ(T) of spin S = 1/2 two- and three-leg Heisenberg ladders and ladder oxide compounds. Extensive quantum Monte Carlo simulations of χ(T) were carried out for both isolated and coupled two-leg ladders with spatially anisotropic intraladder exchange. Accurate fits to these and related literature QMC data were obtained. We have also calculated the one- and two-magnon dispersion relations and the dynamical spin structure factor for anisotropic isolated 2 x 12 ladders. The exchange constants in the two-leg ladder compound SrCu2O3 are estimated from LDA+U calculations. We report the detailed crystal structure of SrCu2O3 and of the three-leg ladder compound Sr2Cu3O5. New experimental χ(T) data are reported for the two-leg ladder cuprates SrCu2O3 and LaCuO_{2.5}, and for the (nominally) two-leg ladder vanadates CaV2O5 and MgV2O5. The new and literature χ(T) data for these compounds and for Sr2Cu3O5 are modeled using our QMC χ(T) simulation fits, and the exchange coupling constants between the spins-1/2 are thereby estimated for each material. The surpisingly strong spatial anisotropy of the bilinear intraladder exchange constants in the cuprate compounds is discussed together with the results of other experiments sensitive to this anisotropy. Recent theoretical predictions are discussed including those which indicate that a four-spin cyclic exchange interaction within a Cu4 plaquette is important to determining the magnetic properties and which can significantly influence the exchange interactions estimated from χ(T) data assuming the presence of only bilinear exchange.

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D. C. Johnston, M. Troyer, S. Miyahara, D. Lidsky, K. Ueda, M. Azuma, Z. Hiroi, M. Takano, M. Isobe, Y. Ueda, M. A. Korotin, V. I. Anisimov, A. V. Mahajan, L. L. Miller. 2000-01-11. Magnetic Susceptibilities of Spin-1/2 Antiferromagnetic Heisenberg Ladders and Applications to Ladder Oxide Compounds. https://arxiv.org/abs/cond-mat/0001147

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