Ab initio modeling of Bose-Einstein condensation in Pb2V3O9

Abstract

We apply density functional theory band structure calculations and quantum Monte Carlo simulations to investigate the Bose-Einstein condensation in the spin-1/2 quantum magnet Pb2V3O9. In contrast to previous conjectures on the one-dimensional nature of this compound, we present a quasi-two-dimensional model of spin dimers with ferromagnetic and antiferromagnetic interdimer couplings. Our model is well justified microscopically and provides a consistent description of the experimental data on the magnetic susceptibility, high-field magnetization, and field vs. temperature phase diagram. The Bose-Einstein condensation in the quasi-two-dimensional spin system of Pb2V3O9 is largely governed by intralayer interactions, whereas weak interlayer couplings have a moderate effect on the ordering temperature. The proposed computational approach is an efficient tool to analyze and predict high-field properties of quantum magnets.

6 pages, 6 figures, 1 table

References in corpus (18)

• The ALPS project release 1.3: open source software for strongly correlated systems
• Bose-Einstein Condensation in Magnetic Insulators
• Generalized Directed Loop Method for Quantum Monte Carlo Simulations
• Dimensional reduction at a quantum critical point
• Magnetic Excitations in the S=1/2 Alternating Chain Compound (VO)_2P_2O_7
• Tight-binding models for the new iron based superconductor materials
• Specific heat of quasi-2D antiferromagnetic Heisenberg models with varying inter-planar couplings
• Multi-Chain Mean-Field Theory of Quasi One-Dimensional Quantum Spin Systems
• 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
• Multiple Magnon Modes and Consequences for the Bose-Einstein Condensed Phase in BaCuSi2O6
• Electronic Structure and Exchange Interactions of Na${}_2$V${}_3$O${}_7$
• Sr2V3O9 and Ba2V3O9: quasi one-dimensional spin-systems with an anomalous low temperature susceptibility
• Strong frustration due to competing ferromagnetic and antiferromagnetic interactions: magnetic properties of M(VO)2(PO4)2 (M = Ca and Sr)
• Frustrated square lattice with spatial anisotropy: crystal structure and magnetic properties of PbZnVO(PO4)2
• Theory of the field-induced BEC in the frustrated spin-1/2 dimer compound BaCuSi2O6
• NMR evidence for a strong modulation of the Bose-Einstein Condensate in BaCuSi${}_2$O${}_6$
• Universal critical temperature for Kosterlitz-Thouless transitions in bilayer quantum magnets

Cited by in corpus (16)

• Phase separation and frustrated square lattice magnetism of Na1.5VOPO4F0.5
• Frustrated couplings between alternating spin-1/2 chains in AgVOAsO4
• Magnetic anisotropy in the frustrated spin chain compound $\beta$-TeVO${}_4$
• Spin-chain magnetism and uniform Dzyaloshinsky-Moriya anisotropy in BaV${}_3$O${}_8$
• Unusual ferromagnetic superexchange in CdVO3: The role of Cd
• Square-lattice magnetism of diaboleite Pb2Cu(OH)4Cl2
• Two energy scales of spin dimers in clinoclase Cu3(AsO4)(OH)3
• Macroscopic properties of triplon Bose-Einstein condensates
• Structure and magnetism of Cr2BP3O12: Towards the quantum-classical crossover in a spin-3/2 alternating chain
• Spin Seebeck effect in quantum magnet Pb2V3O9
• Singlet ground state in the alternating spin-$1/2$ chain compound NaVOAsO${}_4$
• (CuCl)LaTa2O7 and quantum phase transition in the (CuX)LaM2O7 family (X = Cl, Br; M = Nb, Ta)
• Spiral ground state in the quasi-two-dimensional spin-1/2 system Cu2GeO4
• Hidden magnetic order in CuNCN
• One-dimensional magnetism in synthetic Pauflerite, $\beta$-VOSO${}_4$
• Quantum magnetism of ferromagnetic spin dimers in $\alpha$-KVOPO${}_4$