Peculiar long-range superexchange in Cu2A2O7 (A = P, As, V) as a key element of the microscopic magnetic model

Abstract

A microscopic magnetic model for alpha-Cu2P2O7 is evaluated in a combined theoretical and experimental study. Despite a dominant intradimer coupling J1, sizable interdimer couplings enforce long-range magnetic ordering at T_N=27 K. The spin model for alpha-Cu2P2O7 is compared to the models of the isostructural beta-Cu2V2O7 and alpha-Cu2As2O7 systems. As a surprise, coupled dimers in alpha-Cu2P2O7 and alternating chains in alpha-Cu2As2O7 contrast with a honeycomb lattice in beta-Cu2V2O7. We find that the qualitative difference in the coupling regime of these isostructural compounds is governed by the nature of AO4 side groups: d-elements (A = V) hybridize with nearby O atoms forming a Cu-O-A-O-Cu superexchange path, while for p-elements (A = P, As) the superexchange is realized via O-O edges of the tetrahedron. Implications for a broad range of systems are discussed.

arXiv comment8 pages, 5 figures, 1 table; discussion extended

References in corpus (27)

• Magnetic Monopoles in Spin Ice
• The ALPS project release 1.3: open source software for strongly correlated systems
• Magnetic Charge Transport
• Cluster algorithms for general-S quantum spin systems
• Generalized Directed Loop Method for Quantum Monte Carlo Simulations
• Magnetic Excitations in the S=1/2 Alternating Chain Compound (VO)_2P_2O_7
• Tight-binding models for the new iron based superconductor materials
• Reply to Comment on "Competition between helimagnetism and commensurate quantum spin correlations in LiCu2O2"
• NMR and LDA evidence for spiral magnetic order in the chain cuprate LiCu2O2
• Spin waves and magnetic interactions in LiCu2O2
• beta-Cu2V2O7: a spin-1/2 honeycomb lattice system
• Extension of the spin-1/2 frustrated square lattice model: the case of layered vanadium phosphates
• Modified kagome physics in the natural spin-1/2 kagome lattice systems - kapellasite Cu3Zn(OH)6Cl2 and haydeeite Cu3Mg(OH)6Cl2
• Exploring the spin-1/2 frustrated square lattice model with high-field magnetization measurements
• Comment on "Competition between helimagnetism and commensurate quantum spin correlations in LiCu2O2"
• Bridging frustrated-spin-chain and spin-ladder physics: quasi-one-dimensional magnetism of BiCu2PO6
• Structural and magnetic dimers in the spin-gapped system CuTe2O5
• Sr${}_2$Cu(PO${}_4$)${}_2$: A real material realization of the 1D nearest neighbor Heisenberg chain
• Frustrated square lattice with spatial anisotropy: crystal structure and magnetic properties of PbZnVO(PO4)2
• Electronic structure and magnetic properties of the spin-1/2 Heisenberg system CuSe2O5
• Modeling of the Magnetic Susceptibilities of the Ambient- and High-Pressure Phases of (VO)_{2}P_{2}O_{7}
• Large quantum fluctuations in the strongly coupled spin-1/2 chains of green dioptase: a hidden message from birds and trees
• Ferromagnetically coupled Shastry-Sutherland quantum spin singlets in (CuCl)LaNb${}_2$O${}_7$
• Structural distortion and frustrated magnetic interactions in the layered copper oxychloride [CuCl]LaNb(2)O(7)
• Interplay of atomic displacements in the quantum magnet (CuCl)LaNb2O7
• Atomic and magnetic structures of (CuCl)LaNb${}_2$O${}_7$ and (CuBr)LaNb${}_2$O${}_7$: Density functional calculations
• Synthesis, Structural and magnetic properties of the solid solution (CuCl1-xBrx)LaNb2O7 (0<x<1)

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