Magnetic dimerization in the frustrated spin ladder 
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Vaccarelli, Ornella; Rousse, Gwenaëlle; Saúl, Andrés; Radtke, Guillaume

doi:10.1103/physrevb.96.180406

Cited by 5 publications

(13 citation statements)

References 31 publications

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“…By contrast, an intermediate columnar-dimer phase can be stabilized by ferromagnetic superexchange couplings [61] or by an additional next-nearest-neighbor coupling, J 2 , along the ladder legs [40,[62][63][64]. Although the frustrated ladder has to date been studied primarily from a theoretical perspective, the recently synthesized compound Li 2 Cu 2 O(SO 4 ) 2 [65,66] has a ladder geometry with J × = J , although in this case J ⊥ is ferromagnetic and there is a significant antiferromagnetic J 2 [67].…”

Section: 1 Hamiltonian and Conservation Lawsmentioning

confidence: 99%

Efficient Quantum Monte Carlo simulations of highly frustrated magnets: the frustrated spin-1/2 ladder

et al. 2017

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Quantum Monte Carlo simulations provide one of the more powerful and versatile numerical approaches to condensed matter systems. However, their application to frustrated quantum spin models, in all relevant temperature regimes, is hamstrung by the infamous "sign problem." Here we exploit the fact that the sign problem is basis-dependent. Recent studies have shown that passing to a dimer (two-site) basis eliminates the sign problem completely for a fully frustrated spin model on the two-leg ladder. We generalize this result to all partially frustrated two-leg spin-1/2 ladders, meaning those where the diagonal and leg couplings take any antiferromagnetic values. We find that, although the sign problem does reappear, it remains remarkably mild throughout the entire phase diagram. We explain this result and apply it to perform efficient quantum Monte Carlo simulations of frustrated ladders, obtaining accurate results for thermodynamic quantities such as the magnetic specific heat and susceptibility of ladders up to L = 200 rungs (400 spins 1/2) and down to very low temperatures.

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Section: 1 Hamiltonian and Conservation Lawsmentioning

confidence: 99%

Efficient Quantum Monte Carlo simulations of highly frustrated magnets: the frustrated spin-1/2 ladder

et al. 2017

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“…The dynamic Dzyaloshinskii-Moriya mechanism is invoked in this case to explain the absorption of light by this low-dimensional spin system. All these observations are qualitatively explained by higher-order perturbation and exact diagonalization calculations of triplet quasi-particle excitations carried out on the basis of the dimerized geometry derived from previous firstprinciple calculations 18 .…”

Section: Introductionmentioning

confidence: 60%

“…Following Ref. 18, the triclinic phase can be described by the staggered S = 1/2 dimer structure schematized in Fig. 1(e).…”

Section: Acknowledgmentsmentioning

confidence: 99%

“…1(a) and (b)). A first-principle investigation of the electronic structure of this compound 18 clearly identified these structural units as magnetically equivalent to frustrated two-leg ladders where, as in BiCu 2 PO 6 , frustration arises from competing interactions along the legs.…”

Section: Introductionmentioning

confidence: 98%

“…A new material realization of a frustrated spin-1/2 twoleg ladder system, Li 2 Cu 2 O(SO 4 ) 2 , has recently been discovered [16][17][18] . At high temperature, this compound crystallizes in a tetragonal structure where [Cu 2 O(SO 4 ) 2 ] 2− chains running along the c axis are well separated by Li + ions, thus forming quasi-1D structural units (see Fig.…”

Section: Introductionmentioning

confidence: 99%

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Triplet excitations in the frustrated spin ladder Li2Cu2O(SO4)2

et al. 2019

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Magnetic excitations of the recently discovered frustrated spin-1/2 two-leg ladder system Li2Cu2O(SO4)2 are investigated using inelastic neutron scattering, magnetic susceptibility and infrared absorption measurements. Despite the presence of a magnetic dimerization concomitant with the tetragonal-to-triclinic structural distortion occurring below 125 K, neutron scattering experiments reveal the presence of dispersive triplet excitations above a spin gap of ∆ = 10.6 meV at 1.5 K, a value consistent with the estimates extracted from magnetic susceptibility. The likely detection of these spin excitations in infrared spectroscopy is explained by invoking a dynamic Dzyaloshinskii-Moriya mechanism in which light is coupled to the dimer singlet-to-triplet transition through an optical phonon. These results are qualitatively explained by exact diagonalization and higher-order perturbation calculations carried out on the basis of the dimerized spin Hamiltonian derived from first-principles.

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Spin–Lattice Coupling Across the Magnetic Quantum-Phase Transition in Copper-Containing Coordination Polymers

et al. 2020

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We measured the infrared vibrational properties of two copper-containing coordination polymers, [Cu(pyz)2(2-HOpy)2](PF6)2 and [Cu(pyz)1.5(4-HOpy)2](ClO4)2, under different external stimuli in order to explore the microscopic aspects of spin–lattice coupling. While the temperature and pressure control hydrogen bonding, an applied field drives these materials from the antiferromagnetic → fully saturated state. Analysis of the pyrazine (pyz)-related vibrational modes across the magnetic quantum-phase transition provides a superb local probe of magnetoelastic coupling because the pyz ligand functions as the primary exchange pathway and is present in both systems. Strikingly, the PF6 – compound employs several pyz-related distortions in support of the magnetically driven transition, whereas the ClO4 – system requires only a single out-of-plane pyz bending mode. Bringing these findings together with magnetoinfrared spectra from other copper complexes reveals spin–lattice coupling across the magnetic quantum-phase transition as a function of the structural and magnetic dimensionality. Coupling is maximized in [Cu(pyz)1.5(4-HOpy)2](ClO4)2 because of its ladderlike character. Although spin–lattice interactions can also be explored under compression, differences in the local structure and dimensionality drive these materials to unique high-pressure phases. Symmetry analysis suggests that the high-pressure phase of the ClO4 – compound may be ferroelectric.

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Magnetic dimerization in the frustrated spin ladder Li2Cu2O(SO4)2

Cited by 5 publications

References 31 publications

Efficient Quantum Monte Carlo simulations of highly frustrated magnets: the frustrated spin-1/2 ladder

Efficient Quantum Monte Carlo simulations of highly frustrated magnets: the frustrated spin-1/2 ladder

Triplet excitations in the frustrated spin ladder Li2Cu2O(SO4)2

Spin–Lattice Coupling Across the Magnetic Quantum-Phase Transition in Copper-Containing Coordination Polymers

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