Exchange interactions and magnetic properties of the layered vanadates CaV2O5, MgV2O5, CaV3O7 and CaV4O9

Abstract

We have performed ab-initio calculations of exchange couplings in the layered vanadates CaV2O5, MgV2O5, CaV3O7 and CaV4O9. The uniform susceptibility of the Heisenberg model with these exchange couplings is then calculated by quantum Monte Carlo method; it agrees well with the experimental measurements. Based on our results we naturally explain the unusual magnetic properties of these materials, especially the huge difference in spin gap between CaV2O5 and MgV2O5, the unusual long range order in CaV3O7 and the "plaquette resonating valence bond (RVB)" spin gap in CaV4O9.

References in corpus (15)

• Cluster Algorithm for Vertex Models
• Phase diagram of depleted Heisenberg model for CaV4O9
• Plaquette Resonating-Valence-Bond Ground State of CaV${}_4$O${}_9$
• Spin Gap in Two-Dimensional Heisenberg Model for CaV${}_4$O${}_9$
• Origin of spin-gap in CaV${}_4$O${}_9$: effect of frustration and lattice distortion
• Convergent expansions for properties of the Heisenberg model for CaV${}_4$O${}_9$
• Magnetic properties of the coupled ladder system MgV${}_2$O${}_5$
• Spin-Peierls states of quantum antiferromagnets on the $Ca{V}_4{O}_9$ lattice
• Quantum Monte Carlo Simulation of the Trellis Lattice Heisenberg Model for SrCu${}_2$O${}_3$ and CaV${}_2$O${}_5$
• Phase Diagram of the S = 1/2 Frustrated Coupled Ladder System
• Spin Gap of Two-Dimensional Antiferromagnet Representing CaV${}_4$O${}_9$
• Effect of Quantum Fluctuations on Magnetic Ordering in CaV${}_3$O${}_7$
• Quantum Monte Carlo Loop Algorithm for the t-J Model
• Orbital Order Effect of Two-Dimensional Spin Gap System for CaV4O9
• Resonating-Valence-Bond Ground-state of CaV${}_4$O${}_9$ by the Gutzwiller-projected Schwinger-boson method

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