Factorizing magnetic fields triggered by the Dzyaloshinskii–Moriya interaction: Application to magnetic trimers

Florez, J. M.; Vargas, P.

doi:10.1016/j.jmmm.2011.07.052

Cited by 4 publications

(4 citation statements)

References 47 publications

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“…Moreover, the prediction of this spin electric effect in molecular antiferromagnets has been already corroborated for Cu 3 compounds [45]. Even changes in the exchange couplings as small as DM energies created by electric fields could have large repercussions on the MO of triangular-based systems [43][44][45][46]. Besides the possibility of using an electric field to tune the spin-spin interactions in the triangular-based structure of our prototype, the fact that FeCrAs has a Cr/Fe layered structure also suggests both that artificial methods like the ones used for Co/Cr superlattices [47] could be used to enhance the MCE and that pressure-induced changes in properties, as recently discussed in several classes of materials investigated for MCE purposes [48,49] and as proposed originally for FeCrAs [26][27][28], could also be explored in order to study the MCE predicted here.…”

Section: Significance Of Fecras-like Systems: Magnetocaloric Effectmentioning

confidence: 78%

Magnetic entropy change plateau in a geometrically frustrated layered system: FeCrAs-like iron-pnictide structure as a magnetocaloric prototype

Florez

Vargas

García

et al. 2013

J. Phys.: Condens. Matter

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Monte Carlo modeling suggests that the magnetothermal features of the Fe2P-structured FeCrAs-like compound offer a promising route for the design of magnetocaloric materials. The prototype structure is modeled as antiferromagnetically coupled layered Heisenberg systems mimicking the distorted Kagome/triangular stacked architecture of FeCrAs iron-pnictide. The magnetic entropy change ΔSm(T) presents a plateau-like behavior which can be tailored by tuning either the JCr-Fe/JCr-Cr exchange energy ratio or the magnetic field. The plateau is defined by cooperative spin ordering within a ferrimagnetic region which exists between two critical temperatures separating at the lower bound (Tac) a canted antiferromagnetic phase and at the upper bound (Tdc) the thermally disordered phase. The refrigerant capacity and adiabatic change of temperature are A(H)(Tdc - Tac) and A(H)Tp/Cm respectively, with Tac < Tp < Tdc, A(H) an increasing positive function of the field defining the height of the plateau and Cm the magnetic specific heat, whose critical behavior is related to the T(a,d)(c) values.

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Section: Significance Of Fecras-like Systems: Magnetocaloric Effectmentioning

confidence: 78%

Magnetic entropy change plateau in a geometrically frustrated layered system: FeCrAs-like iron-pnictide structure as a magnetocaloric prototype

Florez

Vargas

García

et al. 2013

J. Phys.: Condens. Matter

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“…The entanglement in Figures 9 and A5 reflect two different types of exchange interaction topologies given by the way two nn SMMs are coupled. An implication of this is that it is likely that the way we confine the SMMs into the SWCNTs could be detected (among our three configurations), i.e., the resulting configuration could be distinguished if we happen to have thermal observables that witness the entanglement properties [3,9,10] along with the plateaus on the magnetization.…”

Section: Beyond Two Smmsmentioning

confidence: 97%

“…The realization of quantum computation has found a promising playground on molecular magnetism [1]. Single-molecule magnets (SMMs) have garnered significant attention due to the unprecedented high-density information storage they offer, as well as to their quantum-tunneling of the magnetization [2], factorizing interactions [3] and a wide range of functionalizations that promise to improve the writing/reading in terms of computational times and decoherence [1,2,4]. The realization of molecular qubits [5] and phenomena such as quantum entanglement [6,7], optical/field control of spin dynamics, and molecular-gatebased quantum computation [8], in addition to magnetothermal effects [3,9,10], are already within reach.…”

Section: Introductionmentioning

confidence: 99%

“…The presence of magnetization plateaus in magnetic systems is a fingerprint of, for example, quantum-level crossing and spin tunneling [35,37], competing metastable states in triangular-lattice arrangements of one-dimensional chains [38], geometrically frustrated layered systems [39,40], factorizing fields in coupled trimers [3], and effective spin fractionalization in spin trimer chains [10,12,27].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

On the Magnetization and Entanglement Plateaus in One-Dimensional Confined Molecular Magnets

Norambuena Leiva,

Cortés Estay,

Suarez Morell

et al. 2024

Magnetochemistry

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One-dimensional (1D) magnetic systems offer rich phenomena in the quantum limit, proving more chemically accessible than zero-dimensional or higher-dimensional frameworks. Single-walled carbon nanotubes (SWCNT) have recently been used to encapsulate trimetric nickel(II) acetylacetonate [Nanoscale, 2019, 11, 10615–10621]. Here, we investigate the magnetization on spin chains based on nickel trimers by Matrix Product State (MPS) simulations. Our findings reveal plateaus in the exchange/magnetic-field phase diagram for three coupling configurations, showcasing effective dimeric and trimeric spin-ordering with similar or staggered entanglement across chains. These ordered states allow the qubit-like tuning of specific local magnetic moments, exhibiting disengagement or uniform coupling in entanglement plateaus. This behavior is consistent with the experimental transition from frustrated (3D) to non-frustrated (1D) molecules, corresponding to large and smaller SWCNT diameters. Our study offers insights into the potential of 1D-confined trimers for quantum computation, extending beyond the confinement of trimetric nickel-based molecules in one dimension.

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First-principles studies of spin-orbit and Dzyaloshinskii-Moriya interactions in the {Cu3} single-molecule magnet

et al. 2012

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Frustrated triangular molecule magnets such as {Cu3} are characterized by two degenerate S=1/2 ground-states with opposite chirality. Recently it has been proposed theoretically [PRL 101, 217201 (2008)] and verified by ab-initio calculations [PRB 82, 155446 (2010)] that an external electric field can efficiently couple these two chiral spin states, even in the absence of spin-orbit interaction (SOI). The SOI is nevertheless important, since it introduces a splitting in the ground-state manifold via the Dzyaloshinskii-Moriya interaction. In this paper we present a theoretical study of the effect of the SOI on the chiral states within spin density functional theory. We employ a recently-introduced Hubbard model approach to elucidate the connection between the SOI and the Dzyaloshinskii-Moriya interaction. This allows us to express the Dzyaloshinskii-Moriya interaction constant D in terms of the microscopic Hubbard model parameters, which we calculate from first-principles. The small splitting that we find for the {Cu3} chiral state energies (∆ ≈ 0.02 meV) is consistent with experimental results. The Hubbard model approach adopted here also yields a better estimate of the isotropic exchange constant than the ones obtained by comparing total energies of different spin configurations. The method used here for calculating the DM interaction unmasks its simple fundamental origin which is the off-diagonal spin-orbit interaction between the generally multireference vacuum state and single-electron excitations out of those states

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Factorizing magnetic fields triggered by the Dzyaloshinskii–Moriya interaction: Application to magnetic trimers

Cited by 4 publications

References 47 publications

Magnetic entropy change plateau in a geometrically frustrated layered system: FeCrAs-like iron-pnictide structure as a magnetocaloric prototype

Magnetic entropy change plateau in a geometrically frustrated layered system: FeCrAs-like iron-pnictide structure as a magnetocaloric prototype

On the Magnetization and Entanglement Plateaus in One-Dimensional Confined Molecular Magnets

First-principles studies of spin-orbit and Dzyaloshinskii-Moriya interactions in the {Cu3} single-molecule magnet

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