Structural and magnetic properties of the alternating Heisenberg spin-chain compound dichloro(2,5-dithiahexane)copper(II)

Herrling, E.; Fischer, G.; Matejcek, S.; Pilawa, B.; Henke, Henning; Odenwald, I.; Wendl, W.

doi:10.1103/physrevb.67.014407

Cited by 6 publications

(6 citation statements)

References 34 publications

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“…Copper(II) salts can behave both as antiferromagnetic spin chains , and as spin-paired dimers. , Copper compounds also exhibit more complicated types of magnetic interactions, such as magnetic helixes emerging due to the interplay of spin chains and spin frustration, zigzag spin chains, and alternating spin chains. − When experimental data are limited to finite-temperature magnetic susceptibility, as in the case of copper oxalate, one cannot confidently identify the magnetic structure without first-principles calculations. Here, we report the first fully ab initio determination of the effective Hamiltonian and macroscopic magnetic susceptibility for copper oxalate.…”

Section: Introductionmentioning

confidence: 99%

Is Solid Copper Oxalate a Spin Chain or a Mixture of Entangled Spin Pairs?

2021

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Macroscopic assemblies of interacting spins give rise to a broad spectrum of behaviors determined by the spatial arrangement of the magnetic sites and the electronic interactions between them. Compounds of copper(II), in which each copper carries spin 1/2, exhibit a vast variety of physical properties. For antiferromagnetically coupled spin sites, there are two limiting scenarios: spin chains in which the spins can exhibit a long-range order or a mixture of dimers in which the spins within each pair are entangled but do not interact with the spins from other dimers. In principle, the two types can be distinguished on the basis of experimental observations and modeling using empirically parameterized effective Hamiltonians, but in practice, ambiguity may persist for decades, as is the case for copper oxalate. Here, we use high-level ab initio calculations to establish the validity of the nearest-site Heisenberg model and to predict the interaction strength between the magnetic sites. The computed magnetic susceptibility provides an unambiguous interpretation of magnetic experiments performed over half a century, clearly supporting the infinite spin-chain behavior of solid copper oxalate.

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Section: Introductionmentioning

confidence: 99%

Is Solid Copper Oxalate a Spin Chain or a Mixture of Entangled Spin Pairs?

2021

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“…In fact, when oxalate bridging is considered, 2 can be seen to consist of alternating-exchange Heisenberg chains with S = 1/2. [24][25][26] In this case, two exchange constants J and αJ should be considered in order to understand the magnetic properties. However, the value of α is so small that the interaction represented by αJ may be neglected (see Table 3).…”

Section: Magnetochemical Investigationsmentioning

confidence: 99%

Synthesis, Structure, and Magnetic Properties of Hydroxo‐Bridged Vanadium Oxalate V₂O₂(OH)₂(C₂O₄)(H₂O)₂

Yang

Tian

et al. 2006

Eur J Inorg Chem

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“…The parameter δ denotes the alternating ratio of exchange interactions. There is an equivalent expression of the Hamiltonian [28,29]…”

Section: Witness For Dimer Entanglementmentioning

confidence: 99%

“…It is interesting to note that there is the same structure of phase diagrams in the antiferromagnetic dimerized Heisenberg spin-1/2 and uniform spin-1 chains [29]. The model belongs to quasi one-dimensional magnets of spin-ladder systems with even number of coupled spin chains [30].…”

Section: Introductionmentioning

confidence: 99%

Entanglement in a Dimerized Antiferromagnetic Heisenberg Chain

Hao

Zhu

2006

Int. J. Quantum Inform.

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The entanglement properties in an antiferromagnetic dimerized Heisenberg spin-1/2 chain are investigated. The entanglement gap, which is the difference between the ground-state energy and the minimal energy that any separable state can attain, is calculated to detect the entanglement. It is found that the entanglement gap can be increased by varying the alternation parameter. Through thermal energy, the witness of the entanglement can determine a characteristic temperature below that an entangled state can be obtained. The entanglement detected by the energy can provide a lower bound for that determined by the concurrence. If the alternation parameter is smaller than a critical value, there is always no inter-dimer entanglement in the chain.

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Structural and magnetic properties of the alternating Heisenberg spin-chain compound dichloro(2,5-dithiahexane)copper(II)

Cited by 6 publications

References 34 publications

Is Solid Copper Oxalate a Spin Chain or a Mixture of Entangled Spin Pairs?

Is Solid Copper Oxalate a Spin Chain or a Mixture of Entangled Spin Pairs?

Synthesis, Structure, and Magnetic Properties of Hydroxo‐Bridged Vanadium Oxalate V₂O₂(OH)₂(C₂O₄)(H₂O)₂

Entanglement in a Dimerized Antiferromagnetic Heisenberg Chain

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Structural and magnetic properties of the alternating Heisenberg spin-chain compound dichloro(2,5-dithiahexane)copper(II)

Cited by 6 publications

References 34 publications

Is Solid Copper Oxalate a Spin Chain or a Mixture of Entangled Spin Pairs?

Is Solid Copper Oxalate a Spin Chain or a Mixture of Entangled Spin Pairs?

Synthesis, Structure, and Magnetic Properties of Hydroxo‐Bridged Vanadium Oxalate V2O2(OH)2(C2O4)(H2O)2

Entanglement in a Dimerized Antiferromagnetic Heisenberg Chain

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Synthesis, Structure, and Magnetic Properties of Hydroxo‐Bridged Vanadium Oxalate V₂O₂(OH)₂(C₂O₄)(H₂O)₂