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arXiv:2605.17420 · Zeitschrift für Naturforschung A

Specific heat and susceptibility of S = 1/2 antiferromagnets on square, triangular, and kagome lattices

Chisa Hotta

Published May 20, 2026• 0 citations
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Abstract

Abstract We study the temperature dependence of the thermodynamic properties of spin-1/2 antiferromagnets on two-dimensional lattices. Our analysis employs the sine-square deformation (SSD), in which a real-space envelope function is applied to the Hamiltonian so that the local energy scale is smoothly reduced to zero at the system boundaries. The quantum eigenstates of the SSD Hamiltonian exhibit bulk-like behavior near the system center, effectively mimicking the thermodynamic limit even in small finite-size calculations. Using these fictitious bulk states, we compute the energy density, specific heat, and magnetic susceptibility as functions of temperature. We find that both the triangular- and kagome-lattice antiferromagnets show either a shoulder or a pronounced double-peak structure in the low-temperature specific heat, whereas the kagome case particularly shows a strong enhancement of magnetic susceptibility down to the lowest temperature range. These direct comparisons, together with the square-lattice and one-dimensional cases, reveal that although both frustrated systems retain a substantial amount of entropy, the low-energy excitations below ∼ 0.5 J $\sim 0.5J$ of the kagome lattice are predominantly governed by the magnetic excited states, whereas not much for the triangular lattice.

DOI
10.1515/zna-2025-0392

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Abstract We study the temperature dependence of the thermodynamic properties of spin-1/2 antiferromagnets on two-dimensional lattices. Our analysis employs the sine-square deformation (SSD), in which a real-space envelope function is applied to the Hamiltonian so that the local energy scale is smoothly reduced to zero at the system boundaries. The quantum eigenstates of the SSD Hamiltonian exhibit bulk-like behavior near the system center, effectively mimicking the thermodynamic limit even in small finite-size calculations. Using these fictitious bulk states, we compute the energy density, specific heat, and magnetic susceptibility as functions of temperature. We find that both the triangular- and kagome-lattice antiferromagnets show either a shoulder or a pronounced double-peak structure in the low-temperature specific heat, whereas the kagome case particularly shows a strong enhancement of magnetic susceptibility down to the lowest temperature range. These direct comparisons, together with the square-lattice and one-dimensional cases, reveal that although both frustrated systems retain a substantial amount of entropy, the low-energy excitations below ∼ 0.5 J ∼0.5J\sim 0.5J∼0.5J of the kagome lattice are predominantly governed by the magnetic excited states, whereas not much for the triangular lattice.
We develop a simple and unbiased numerical method to obtain the uniform susceptibility of quantum many-body systems. When a Hamiltonian is spatially deformed by multiplying it with a sine-square function that smoothly decreases from the system center toward the edges, the size-scaling law of the excitation energy is drastically transformed to a rapidly converging one. Then, the local magnetization at the system center becomes nearly size independent; the one obtained for the deformed Hamiltonian of a system length as small as $L\ensuremath{\sim}10$ provides the value obtained for the original uniform Hamiltonian of $L\ensuremath{\sim}100$. This allows us to evaluate a bulk magnetic susceptibility by using the magnetization at the center by existing numerical solvers without any approximation, parameter tuning, or size-scaling analysis. We demonstrate that the susceptibilities of the spin-1/2 antiferromagnetic Heisenberg chain and square lattice obtained by our scheme at $L\ensuremath{\sim}10$ agree within ${10}^{\ensuremath{-}3}$ with exact analytical and numerical solutions for $L=\ensuremath{\infty}$ down to temperatures of 0.1 times the coupling constant. We apply this method to the spin-1/2 kagome lattice Heisenberg antiferromagnet which is of prime interest in the search for spin liquids.
Thermodynamic properties, specific heat and magnetic susceptibility, of spin-1/2 Ising-like Heisenberg model are investigated by an exact diagonalization method for small finite size kagome- and triangular-lattices up to 18-spins. The enhancement of magnetic susceptibility from the Curie–Weiss law and the peaks-structure of specific heat, rather generally detected experimentally in triangle-based spin systems including herbertsmithite, are interpreted as an intrinsic property of triangle-based frustrated spin systems with some extent of exchange anisotropy and are inferred as owing to a quantum-classical crossover.
Thermodynamic properties of S=2 antiferromagnetic Heisenberg chains are studied not only under the periodic boundary condition but also under the open one employing a quantum Monte Carlo method. Temperature and size dependences of the energy, the specific heat, and the magnetic susceptibility are calculated and edge effects on them are investigated in detail. The specific heat shows a well-pronounced Schottky anomaly but the maximum is located at a temperature much larger than the Haldane gap of the system. As temperature goes to zero, the magnetic susceptibility vanishes for the periodic chains, while it diverges for the open chains. The edge contribution in the open-chain susceptibility is attributed to the two S=1 effective spins localized at the chain ends at low temperatures, while to an S=2 free spin at high temperatures. This is a visualization of a quantum-classical crossover and an evidence that the present model is a Haldane system. High-temperature behaviors of the thermodynamic quantities are also discussed with the help of a series-expansion method. \textcopyright{} 1996 The American Physical Society.
The energy, the specific heat, and the magnetic susceptibility of the bond-diluted S=(1/2) Heisenberg ferromagnet on a two-dimensional square lattice are studied using a Monte Carlo sampling of the terms contributing to the partition function. The full lattice is studied in detail for sizes up to 20\ifmmode\times\else\texttimes\fi{}20, and evidence is presented to suggest that the low-temperature correlation length behaves as \ensuremath{\xi}\ensuremath{\sim}${e}^{\ensuremath{\nu}\ensuremath{\beta}J}$ with \ensuremath{\nu}\ensuremath{\sim}1.91\ifmmode\pm\else\textpm\fi{}0.06. The temperature dependence of the susceptibility, however, is not quite a simple exponential in \ensuremath{\beta}J. Knowledge of the correlation length and finite-size scaling allows the determination of the prefactor. Our conclusion is that the low-temperature susceptibility behaves as ${T}^{\mathrm{\ensuremath{-}}1}$${e}^{2\ensuremath{\nu}\ensuremath{\beta}J}$. Square lattices of size ranging from 6\ifmmode\times\else\texttimes\fi{}6 to 12\ifmmode\times\else\texttimes\fi{}12 are studied for kB{k}_{B}kB​T/J ranging from 0.1 to 3 and for several values of the bond probability p. Not surprisingly, the most drastic thermodynamic behavior near the critical bond-percolation probability is the sharp increase in the low-temperature susceptibility for p>pc{p}_{c}pc​. This corresponds to much larger correlation effects in the percolating lattice than below the percolation threshold. We also compare the thermodynamics at p=pc{p}_{c}pc​ to the scaling theories of Lubensky and Stanley et al. which suggest that the correlations at the percolation threshold are predominantly one dimensional.
We investigate thermodynamic properties like specific heat c V and susceptibility χ in anisotropic J 1 – J 2 triangular quantum spin systems ( ). As a universal tool we apply the finite temperature Lanczos method (FTLM) based on exact diagonalization of finite clusters with periodic boundary conditions. We use clusters up to N = 28 sites where the thermodynamic limit behavior is already stably reproduced. As a reference we also present the full diagonalization of a small eight-site cluster. After introducing model and method we discuss our main results on c V ( T ) and . We show the variation of peak position and peak height of these quantities as function of control parameter . We demonstrate that maximum peak positions and heights in Néel phase and spiral phases are strongly asymmetric, much more than in the square lattice J 1 – J 2 model. Our results also suggest a tendency to a second side maximum or shoulder formation at lower temperature for certain ranges of the control parameter. We finally explicitly determine the exchange model of the prominent triangular magnets Cs 2 CuCl 4 and Cs 2 CuBr 4 from our FTLM results.
Over the last decade, the interest in the spin-1/21/21/2 Heisenberg antiferromagnet (HAF) on the square kagome (also called shuriken) lattice has been growing as a model system of quantum magnetism with a quantum paramagnetic ground state, flat-band physics near the saturation field, and quantum scars. A further motivation to study this model comes from the recent discovery of a gapless spin liquid in the square kagome magnet KCu6AlBiO4(SO4)5Cl\mathrm{K}{\mathrm{Cu}}_{6}\mathrm{Al}\mathrm{Bi}{\mathrm{O}}_{4}{(\mathrm{S}{\mathrm{O}}_{4})}_{5}\mathrm{Cl}KCu6​AlBiO4​(SO4​)5​Cl [M. Fujihala et al., Nat. Commun. 11, 3429 (2020)]. Here, we present large-scale numerical investigations of the specific heat C(T)C(T)C(T), the entropy S(T),S(T),S(T), as well as the susceptibility $\ensuremath{\chi}(T)$ by means of the finite-temperature Lanczos method for system sizes of N=18,24,30,36,42,48N=18,24,30,36,42,48N=18,24,30,36,42,48, and N=54N=54N=54. We find that the specific heat exhibits a low-temperature shoulder below the major maximum which can be attributed to low-lying singlet excitations filling the singlet-triplet gap, which is significantly larger than the singlet-singlet gap. This observation is further supported by the behavior of the entropy S(T)S(T)S(T), where a change in curvature is present just at about T/J=0.2T/J=0.2T/J=0.2, the same temperature where the shoulder in CCC sets in. For the susceptibility the low-lying singlet excitations are irrelevant, and the singlet-triplet gap leads to an exponentially activated low-temperature behavior. The maximum in $\ensuremath{\chi}(T)$ is found at a pretty low temperature Tmax/J=0.146{T}_{\mathrm{max}}/J=0.146Tmax​/J=0.146 (for N=42N=42N=42) compared to Tmax/J=0.935{T}_{\mathrm{max}}/J=0.935Tmax​/J=0.935 for the unfrustrated square-lattice HAF signaling the crucial role of frustration also for the susceptibility. We find a striking similarity of our square kagome data with the corresponding ones for the kagome HAF down to very low TTT. The magnetization process featuring plateaus and jumps and the field dependence of the specific heat that exhibits characteristic peculiarities attributed to the existence of a flat one-magnon band are discussed as well.