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Podlesnyak, A.; Pomjakushin, Vladimir; Pomjakushina, E.; Conder, K.; Furrer, A.

doi:10.1103/physrevb.76.064420

Cited by 18 publications

(38 citation statements)

References 15 publications

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“…[8,12,13] The ground-state for this system will be a doublet with magnetic configuration Cu2 2+ (↑)-Cu1 2+ (↓)-Cu2 2+ (↑). In principle, if Cu1 2+ can be replaced by a spin-one ion like Ni 2+ , the ground state of the system may be converted into a singlet one.…”

Section: Introductionmentioning

confidence: 99%

Doping-induced spin-manipulation in complex trimer system Ca3Cu3(PO4)4: A density functional investigation

Karmakar¹,

Yaresko²

2013

Journal of Physics and Chemistry of Solids

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Spin-manipulated doping with magnetic (Ni) and non-magnetic (Mg) dopants constitutes the experimental attempts to obtain a singlet ground state system from the linear chain Heisenberg antiferromagnetic Cu-based d 9 spin-1/2 trimer compound Ca3Cu3(PO4)4 with doublet ground state. The present study is a first-principles based investigation of the effects of such doping on the spinexchange mechanism and electronic structure of the parent compound. Site-selective doping with zero-spin dopants like Mg is proved to be more efficient than an integral spin dopant Ni in obtaining a spin-gap system with singlet ground state, as also observed in the experimental studies. Doping induced dimerized state is found to be the lowest in ground-state energy. Calculated spin exchange values along various possible paths resemble nicely with earlier experimental results.

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Section: Introductionmentioning

confidence: 99%

Doping-induced spin-manipulation in complex trimer system Ca3Cu3(PO4)4: A density functional investigation

Karmakar¹,

Yaresko²

2013

Journal of Physics and Chemistry of Solids

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“…The square brackets group zero d multiplets that split up into the doublets at h = 0 with different z-projection M . The circles indicate two levels from the 5th "multiplet" and ground state level that were used to determine the molecular field in 4 .…”

Section: E0 S Mmentioning

confidence: 99%

Full propagation-vector star antiferromagnetic order in quantum spin trimer system Ca₃CuNi₂(PO₄)₄

Pomjakushin

2014

J. Phys.: Condens. Matter

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We show that the antiferromagnetic structure in the quantum spin trimer system Ca3CuNi2(PO4)4 is based on both arms of propagation vector k star {[, 0]} of the paramagnetic space group C2/c. The structure is generated by a symmetric direction of the order parameter of two dimensional irreducible representation of C2/c with one active magnetic mode and corresponds to the Shubnikov magnetic space group Ca2/c. We reveal the relation between representation analysis in the propagation vector formalism and Shubnikov symmetry. These types of multi-k structures are extremely rarely observed experimentally. To further prove the specific magnetic structure we have performed the calculations of the spin expectation values in the isolated Ni 2+ -Cu 2+ -Ni 2+ trimer with realistic Hamiltonian. The calculated spin values SNi = 0.9 and SCu = 0.3 are in 10% accuracy in agreement with the experiment, providing strong complimentary argument in favour of multi-arm magnetic structure.

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“…5 For S = 1 2 systems, much work has been focused on chainlike systems consisting of trimers of Cu ions. 4,9,10 Other configurations of trimers were studied by Qiu et al 7 and Podlesnyak et al 8 In these works, the interactions between trimers were very weak, so that the energy of the localized excitations appeared not to depend on wave vector. In that case, information on the nature of the excited states of the trimers was obtained by monitoring the dependence of the magnitude of the inelastic scattering cross section on wave vector.…”

Section: +mentioning

confidence: 99%

“…1 and one can verify that the spectrum within the ground manifold is again given by Eqs. (8) and (10). However, (as noted by the referee) since this model does not have a screw axis, the degeneracy on the face of the Brillouin zone for the ferromagnetic configuration of trimers will be broken by higher-order corrections.…”

Section: Appendix E: Another Trimer Coveringmentioning

confidence: 99%

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Spin dynamics of trimers on a distorted kagome lattice

Harris

Yildirim

2013

Phys. Rev. B

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We treat the ground state, elementary excitations, and neutron scattering cross section for a system of trimers consisting of three tightly bound spins 1/2 on a distorted kagome lattice, subject to isotropic nearest-neighbor (usually antiferromagnetic) Heisenberg interactions. The interactions between trimers are assumed to be weak compared to the intratrimer interactions. We compare the spin-wave excitation spectrum of trimers with that obtained from standard spin-wave theory and attribute the differences at low energy to the fact that the trimer formulation includes exactly the effects of intratrimer zero-point motion. Disciplines Physics | Quantum PhysicsThis journal article is available at ScholarlyCommons: http://repository.upenn.edu/physics_papers/319 We treat the ground state, elementary excitations, and neutron scattering cross section for a system of trimers consisting of three tightly bound spins 1 2 on a distorted kagome lattice, subject to isotropic nearest-neighbor (usually antiferromagnetic) Heisenberg interactions. The interactions between trimers are assumed to be weak compared to the intratrimer interactions. We compare the spin-wave excitation spectrum of trimers with that obtained from standard spin-wave theory and attribute the differences at low energy to the fact that the trimer formulation includes exactly the effects of intratrimer zero-point motion.

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Magnetic excitations in the spin-trimer compoundsCa3Cu3−xNix(P

Cited by 18 publications

References 15 publications

Doping-induced spin-manipulation in complex trimer system Ca3Cu3(PO4)4: A density functional investigation

Doping-induced spin-manipulation in complex trimer system Ca3Cu3(PO4)4: A density functional investigation

Full propagation-vector star antiferromagnetic order in quantum spin trimer system Ca₃CuNi₂(PO₄)₄

Spin dynamics of trimers on a distorted kagome lattice

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Magnetic excitations in the spin-trimer compoundsCa3Cu3−xNix(P

Cited by 18 publications

References 15 publications

Doping-induced spin-manipulation in complex trimer system Ca3Cu3(PO4)4: A density functional investigation

Doping-induced spin-manipulation in complex trimer system Ca3Cu3(PO4)4: A density functional investigation

Full propagation-vector star antiferromagnetic order in quantum spin trimer system Ca3CuNi2(PO4)4

Spin dynamics of trimers on a distorted kagome lattice

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Full propagation-vector star antiferromagnetic order in quantum spin trimer system Ca₃CuNi₂(PO₄)₄