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arXiv:2406.02151 · Frontiers in Physics

Quantum magnetism in Fe2Cu2 polymeric branched chains: insights from exactly solved Ising-Heisenberg model

Dávid Sivý, Katarína Karľová, Jozef Strečka

Published Jun 24, 2024• 3 citations
arXivHTMLPDF

Abstract

The spin-1/2 Ising-Heisenberg branched chain, inspired by the magnetic structure of three isostructural polymeric coordination compounds [(Tp)2Fe2(CN)6X (bdmap)Cu2(H2O)] ⋅ H2O to be further denoted as Fe2Cu2 (Tp = tris(pyrazolyl)hydroborate, bdmapH = 1,3-bis(dimethylamino)-2-propanol, HX = acetic acid, propionic acid or trifluoroacetic acid), is rigorously studied using the transfer-matrix method. The overall ground-state phase diagram reveals three distinct phases: a quantum antiferromagnetic phase, a quantum ferrimagnetic phase and a classical ferromagnetic phase. In the zero-temperature magnetization curve, two quantum ground states are manifested as intermediate plateaus at zero and half of the saturation magnetization, while the magnetization reaches its saturated value within the classical ferromagnetic phase. The bipartite entanglement between nearest-neighbor Heisenberg spins is more pronounced in the quantum ferrimagnetic phase compared to the quantum antiferromagnetic phase due to a fully polarized nature of the Ising spins. A reasonable agreement between theoretical predictions for the spin-1/2 Ising-Heisenberg branched chain and experimental data measured for a temperature dependence of the magnetic susceptibility and a low-temperature magnetization curve suggests strong antiferromagnetic coupling between nearest-neighbor Cu2+-Cu2+ magnetic ions and moderately strong ferromagnetic coupling between nearest-neighbor Cu2+-Fe3+ magnetic ions in the polymeric compounds Fe2Cu2. A thermal entanglement between nearest-neighbor Cu2+-Cu2+ magnetic ions persists up to a relatively high threshold temperature T ≈ 224 K and undergoes a transient magnetic-field-driven strengthening.

DOI
10.3389/fphy.2024.1408429

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The spin-1/2 Ising-Heisenberg trimerized chain in a magnetic field is revisited with the aim to explore the quantum entanglement and non-locality within the exactly solved spin system, which exhibits in a low-temperature magnetization curve two intermediate plateaux at zero and one-third of the saturation magnetization.The groundstate phase diagram involves two quantum (antiferromagnetic, ferrimagnetic I) and two classical (ferrimagnetic II, saturated paramagnetic) phases.We have rigorously calculated the concurrence and Bell function in order to quantify the quantum entanglement and non-locality at zero as well as non-zero temperatures.It is demonstrated that the entanglement can be thermally induced also above the classical ground states unlike the quantum nonlocality, which means that the thermal entanglement is indispensable for a violation of the locality principle.
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The low-dimensional quantum spin systems have been extensively studied in the past three decades due to the novel ground states and rich magnetic behaviors,especially the quantum spin chain with diamond topology structure. Motivated by recent experimental success in Cu3(CO3)2(OH)2 compound,which is regarded as a model material of spin-1/2 diamond chain,researchers have paid a lot of attention to various variants of diamond spin chains.In this paper,we mainly examine the magnetic properties of an antisymmetric spin-1/2 Ising-Heisenberg diamond chain with the secondneighbor interaction between nodal spins.By using exact diagonalization and transfer-matrix methods,the ground-state phase diagram,magnetization behavior and macroscopic thermodynamics are exactly solved for the particular case that all magnetic bonds yield antiferromagnetic couplings,which usually shows the most interesting magnetic features closely related to a striking interplay between geometric frustration and quantum fluctuations.To clearly illustrate the effect of second-neighbor interaction item,we consider a highly frustrated situation that all Ising-Heisenberg bonds and Heisenberg bonds possess the same interaction strength.The calculation results indicate that the second-neighbor interaction item will enrich ground states and magnetization plateaus.A classical ferrimagnetic phase FRI1 corresponding to a novel two-thirds of intermediate plateau with translationally broken symmetry is introduced,manifesting itself as up-up-up-down-up-up spin configuration at a ground-state.In addition,there are other four distinct ground states which can be identified from the phase diagram,i.e.,one saturated paramagnetic phase SP,one classical ferrimagnetic phase FRI2,one quantum ferrimagnetic phase QFI and the unique quantum antiferromagnetic phase QAF.The classical phase FRI2 and quantum phase QFI both generate one-third of magnetization plateau.It is worth mentioning that all the values of these magnetization plateaus satisfy the Oshikawa-Yamanaka-Affleck condition.Besides,the results also have shown a rich variety of temperature dependence of total magnetization and specific heat.The magnetization displays the remarkable thermal-induced changes as the external field is sufficiently close to critical value where two or more than two different ground states coexist.At the critical field relevant to a coexistence of two different states,the total magnetization displays a monotonic decrease trend.The thermal dependence of zero-field specific heat displays relative complex variations for different second-neighbor interactions between nodal spins.At first,the specific heat presents only a single rounded Schottky-type maximum.Using the second-neighbor interaction,another sharp peak arises at low-temperature and is superimposed on this round maximum,and the specific heat exhibits a double-peak structure. On further strengthening,the low-temperature one keeps its height shifting towards high temperature,while the hightemperature round peak suffers great enhancement and moves in an opposite direction.Finally,the low temperature peak entirely merges with the Schottky-type peak at a certain value of second-neighbor interaction,and above this value, the specific curve recovers its single peak structure.The observed double-peak specific heat curves mainly originate from thermal excitations between the ground-state spin configuration QAF and the ones close enough in energy to the ground state.
Abstract The spin-1/2 Heisenberg branched chain with the unit cell composed of three spins in the main backbone and one spin at a side branching of one-dimensional chain is investigated with the help of density-matrix renormalization group (DMRG) and quantum Monte Carlo (QMC) methods. The DMRG simulations were employed to calculate zero-temperature magnetization curves and to construct the ground-state phase diagram, which is composed from four different ground states classified as gapped zero-plateau and one-half plateau phase, a gapless spin-liquid phase and a fully saturated phase. It is shown that the one-half magnetization plateau vanishes at the Kosterlitz–Thouless quantum critical point, which is wedged into a parameter space of the gapless quantum spin-liquid phase. The bipartite quantum entanglement between four distinct nearest-neighbor pairs of the spin-1/2 Heisenberg branched chain is quantified through the concurrence. It is found that the concurrence varies continuously within the quantum spin-liquid phase, where it may display a continuous rise, a continuous fall or eventually an intriguing rise-and-fall behavior. On the contrary, the concurrence is kept constant within two gapful zero- and one-half plateau phases. Temperature and magnetic-field dependencies of the magnetization and magnetic susceptibility computed within the QMC method uncover clear signatures of the quantum critical point at finite temperatures.