Zero-temperature phase transitions and their anomalous influence on thermodynamic behavior in the q-state Potts model on a diamond chain.

The q-state Potts model on a diamond chain has mathematical significance in analyzing phase transitions and critical behaviors in diverse fields, including statistical physics, condensed matter physics, and materials science. By focusing on the three-state Potts model on a diamond chain, we reveal rich and analytically solvable behaviors without phase transitions at finite temperatures. Upon investigating thermodynamic properties such as internal energy, entropy, specific heat, and correlation length, we observe sharp changes near zero temperature. Magnetic properties, including magnetization and magnetic susceptibility, display distinct behaviors that provide insights into spin configurations in different phases. However, the Potts model lacks genuine phase transitions at finite temperatures, in line with the Peierls argument for one-dimensional systems. Nonetheless, in the general case of an arbitrary q state, magnetic properties such as correlation length, magnetization, and magnetic susceptibility exhibit intriguing remnants of a zero-temperature phase transition at finite temperatures. Furthermore, residual entropy uncovers unusual frustrated regions at zero-temperature phase transitions. This feature leads to the peculiar thermodynamic properties of phase boundaries, including a sharp entropy change resembling a first-order discontinuity without an entropy jump, and pronounced peaks in second-order derivatives of free energy, suggestive of a second-order phase transition divergence but without singularities. This unusual behavior is also observed in the correlation length at the pseudocritical temperature, which could potentially be misleading as a divergence.

Toward a quasiphase transition in the single-file chain of water molecules: Simple lattice model.

Recently, Ma et al. [Phys. Rev. Lett. 118, 027402 (2017)] have suggested that water molecules encapsulated in (6,5) single-wall carbon nanotube experience a temperature-induced quasiphase transition around 150 K interpreted as changes in the water dipoles orientation. We discuss further this temperature-driven quasiphase transition performing quantum chemical calculations and molecular dynamics simulations and, most importantly, suggesting a simple lattice model to reproduce the properties of the one-dimensional confined finite arrays of water molecules. The lattice model takes into account not only the short-range and long-range interactions but also the rotations in a narrow tube, and both ingredients provide an explanation for a temperature-driven orientational ordering of the water molecules, which persists within a relatively wide temperature range.

Residual entropy and magnetocaloric effect in a diluted sawtooth spin model of hole-doped CuO chains.

Ground-state and magnetocaloric properties of a site-diluted sawtooth magnetic chain in the presence of an external magnetic field are exactly investigated by using the transfer-matrix method. The model captures the main magnetic interactions along CuO chains present in some hole-doped cuprates. The ground-state diagram is exhibited and analytical expressions for the residual entropy within each ground state and along the transition lines are derived. We explicitly discuss the role of the underlying pairing correlations and the entropy maximization principle. The isothermal entropy change is determined as a function of interaction parameters, doping concentration, and magnetic-field amplitude. Normal and inverse magnetocaloric effects are reported. Adiabatic demagnetization curves are discussed in connection with configurational and spin contributions to the residual entropy.

Emergence of quantum spin frustration in spin-1/2 Ising-Heisenberg model on a decorated honeycomb lattice.

We study the spin-1/2 Ising-XXZ model on a decorated honeycomb lattice composed of five spins per unit cell, one Ising spin, and four Heisenberg spins. This model involving the Heisenberg exchange interaction is one of the few models that can be exactly solvable through the generalized star-triangle transformation. The significance of this model is its close relationship to the fully decorated quantum Heisenberg honeycomb lattice since 4/5 of the particles are Heisenberg spins. We investigate the phase diagram at zero temperature and identify a relevant quantum spin frustrated phase resulting from the contribution of quantum Heisenberg exchange interaction. We obtain an exact residual entropy for the quantum spin frustrated phase, which coincides with the residual entropy of the antiferromagnetic spin-1/2 Ising model on a triangular lattice. We also thoroughly explore its thermodynamic properties, focusing mainly on the frustrated region such as entropy, specific heat, spontaneous magnetization, and critical temperature under several conditions.

Unconventional low-temperature features in the one-dimensional frustrated q-state Potts model.

Here we consider a one-dimensional q-state Potts model with an external magnetic field and an anisotropic interaction that selects neighboring sites that are in the spin state 1. The present model exhibits unusual behavior in the low-temperature region, where we observe an anomalous vigorous change in the entropy for a given temperature. There is a steep behavior at a given temperature in entropy as a function of temperature, quite similar to first-order discontinuity, but there is no jump in the entropy. Similarly, second derivative quantities like specific heat and magnetic susceptibility also exhibit strong acute peaks similar to second-order phase transition divergence, but once again there is no singularity at this point. Correlation length also confirms this anomalous behavior at the same given temperature, showing a strong and sharp peak which easily one may confuse with a divergence. The temperature where this anomalous feature occurs we call the pseudocritical temperature. We have analyzed physical quantities, like correlation length, entropy, magnetization, specific heat, magnetic susceptibility, and distant pair correlation functions. Furthermore, we analyze the pseudocritical exponents that satisfy a class of universality previously identified in the literature for other one-dimensional models; these pseudocritical exponents are for correlation length ν=1, specific heat α=3, and magnetic susceptibility µ=3.

Low-temperature pseudo-phase-transition in an extended Hubbard diamond chain.

We consider the extended Hubbard diamond chain with an arbitrary number of particles driven by chemical potential. The interaction between dimer diamond chain and nodal couplings is considered in the atomic limit (no hopping), whereas the dimer interaction includes the hopping term. We demonstrate that this model exhibits a pseudo-transition effect in the low-temperature regime. Here, we explore the pseudo-transition rigorously by analyzing several physical quantities. The internal energy and entropy depict sudden, although continuous, jumps which closely resembles discontinuous or first-order phase-transition. At the same time, the correlation length and specific heat exhibit astonishing strong sharp peaks quite similar to a second-order phase-transition. We associate the ascending and descending parts of the peak with power-law "pseudo-critical" exponents. We determine the pseudo-critical exponents in the temperature range where these peaks are developed, namely, ν=1 for the correlation length and α=3 for the specific heat. We also study the behavior of the electron density and isothermal compressibility around the pseudo-critical temperature.

Magnetic behavior of a ferroferrimagnetic ternary alloy AB_{ρ}C_{1-ρ} with a selective site disorder: Case study of a mixed-spin Ising model on a honeycomb lattice.

Phase transitions, compensation phenomenon, and magnetization of a ferroferrimagnetic ternary alloy AB_{ρ}C_{1-ρ} composed of three different kinds of magnetic ions A, B, and C with the spin magnitudes 1/2, 1, and 3/2 are examined within the framework of a mixed-spin Ising model on a honeycomb lattice with a selective annealed site disorder on one of its two sublattices. It is supposed that the first sublattice of a bipartite honeycomb lattice is formed by the spin-1/2 magnetic ions, while the sites of the second sublattice are randomly occupied either by the spin-1 magnetic ions with a probability ρ or the spin-3/2 magnetic ions with a probability 1-ρ, both being subject to a uniaxial single-ion anisotropy. The model under investigation can be exactly mapped into an effective spin-1/2 Ising model on a triangular lattice through the generalized star-triangle transformation. For a specific concentration of the spin-1 (spin-3/2) magnetic ions, it is shown that the ferroferrimagnetic version of the studied model may display a compensation temperature at which the total magnetization vanishes below a critical temperature. The critical temperature strikingly may also become independent of the concentration of the randomly mixed spin-1 and spin-3/2 magnetic ions for a specific value of a uniaxial single-ion anisotropy. The spontaneous magnetic order may be notably restored at finite temperatures through the order-by-disorder mechanism above a disordered ground state, which results in an anomalous temperature dependence of the total magnetization with double reentrant phase transitions.

Peculiarities in pseudo-transitions of a mixed spin-(1/2, 1) Ising-Heisenberg double-tetrahedral chain in an external magnetic field.

Recently, it has been rigorously verified that several one-dimensional (1D) spin models may exhibit a peculiar pseudo-transition accompanied with anomalous response of thermodynamic quantities in a close vicinity of pseudo-critical temperature. In the present work we will introduce and exactly solve a mixed spin-(1/2,1) Ising-Heisenberg double-tetrahedral chain in an external magnetic field as another particular example of 1D lattice-statistical model with short-range interactions that displays a pseudo-transition of this type. The investigated model exhibits at zero temperature three ferrimagnetic phases, three frustrated phases, and one saturated paramagnetic phase. The ground-state phase diagram involves five unusual interfaces (phase boundaries), at which the residual entropy per site equals to a larger entropy of one of two coexisting phases. Four such interfaces are between a non-degenerate ferrimagnetic phase and a macroscopically degenerate frustrated phase, while one interface is between two non-degenerate ferrimagnetic phases. Though thermal excitations typically destroy all fingerprints of zero-temperature phase transitions of 1D lattice-statistical models with short-range forces, the mixed spin-(1/2,1) Ising-Heisenberg double-tetrahedral chain is quite robust with respect to thermal excitations and it displays peculiar pseudo-transitions close to all five aforementioned interfaces.

Universality and quasicritical exponents of one-dimensional models displaying a quasitransition at finite temperatures.

Quasicritical exponents of one-dimensional models displaying a quasitransition at finite temperatures are examined in detail. The quasitransition is characterized by intense sharp peaks in physical quantities such as specific heat and magnetic susceptibility, which are reminiscent of divergences accompanying a continuous (second-order) phase transition. The question whether these robust finite peaks follow some power law around the quasicritical temperature is addressed. Although there is no actual divergence of these quantities at a quasicritical temperature, a power-law behavior fits precisely both ascending as well as descending parts of the peaks in the vicinity but not too close to a quasicritical temperature. The specific values of the quasicritical exponents are rigorously calculated for a class of one-dimensional models (e.g., Ising-XYZ diamond chain, coupled spin-electron double-tetrahedral chain, Ising-XXZ two-leg ladder, and Ising-XXZ three-leg tube), whereas the same set of quasicritical exponents implies a certain "universality" of quasitransitions of one-dimensional models. Specifically, the values of the quasicritical exponents for one-dimensional models are: α=α^{'}=3 for the specific heat, γ=γ^{'}=3 for the susceptibility and ν=ν^{'}=1 for the correlation length.

Magnetization process, bipartite entanglement, and enhanced magnetocaloric effect of the exactly solved spin-1/2 Ising-Heisenberg tetrahedral chain.

The frustrated spin-1/2 Ising-Heisenberg ladder with Heisenberg intra-rung and Ising inter-rung interactions is exactly solved in a longitudinal magnetic field by taking advantage of the local conservation of the total spin on each rung and the transfer-matrix method. We have rigorously calculated the ground-state phase diagram, magnetization process, magnetocaloric effect, and basic thermodynamic quantities for the model, which can be alternatively viewed as an Ising-Heisenberg tetrahedral chain. It is demonstrated that a stepwise magnetization curve with an intermediate plateau at half of the saturation magnetization is also reflected in respective stepwise changes of the concurrence serving as a measure of bipartite entanglement. The ground-state phase diagram and zero-temperature magnetization curves of the Ising-Heisenberg tetrahedral chain are contrasted with the analogous results of the purely quantum Heisenberg tetrahedral chain, which have been obtained through density-matrix renormalization group (DMRG) calculations. While both ground-state phase diagrams fully coincide in the regime of weak inter-rung interaction, the purely quantum Heisenberg tetrahedral chain develops Luttinger spin-liquid and Haldane phases for strongly coupled rungs, which are absent in the Ising-Heisenberg counterpart model.

Thermal entanglement in an orthogonal dimer-plaquette chain with alternating Ising-Heisenberg coupling.

In this paper we explore the entanglement in an orthogonal dimer-plaquette Ising-Heisenberg chain, assembled between plaquette edges, also known as orthogonal dimer plaquettes. The quantum entanglement properties involving an infinite chain structure are quite important, not only because the mathematical calculation is cumbersome but also because real materials are well represented by infinite chains. Using the local gauge symmetry of this model, we are able to map onto a simple spin-1 like Ising and spin-1/2 Heisenberg dimer model with single effective ion anisotropy. Thereafter this model can be solved using the decoration transformation and transfer matrix approach. First, we discuss the phase diagram at zero temperature of this model, where we find five ground states, one ferromagnetic, one antiferromagnetic, one triplet-triplet disordered and one triplet-singlet disordered phase, beside a dimer ferromagnetic-antiferromagnetic phase. In addition, we discuss the thermodynamic properties such as entropy, where we display the residual entropy. Furthermore, using the nearest site correlation function it is possible also to analyze the pairwise thermal entanglement for both orthogonal dimers. Additionally, we discuss the threshold temperature of the entangled region as a function of Hamiltonian parameters. We find a quite interesting thin reentrance threshold temperature for one of the dimers, and we also discuss the differences and similarities for both dimers.

Frustrated Ising model on the Cairo pentagonal lattice.

Through the direct decoration transformation approach, we obtain a general solution for the pentagonal Ising model, showing its equivalence to the isotropic free-fermion eight-vertex model. We study the ground-state phase diagram, in which one ferromagnetic (FM) state, one ferrimagnetic (FIM) state, and one frustrated state are found. Using the exact solution of the pentagonal Ising model, we discuss the finite-temperature phase diagrams and find a phase transition between the FIM state and the disordered state as well as a phase transition between the disordered state and the FM state. We also discuss some additional remarkable properties of the model, such as the magnetization, entropy, and specific heat, at finite temperature and at its low-temperature asymptotic limit. Because of the influence of the second-order phase transition between the frustrated and ferromagnetic phases, we obtain surprisingly low values of the entropy and the specific heat until the critical temperature is reached.

Geometrical frustration of an extended Hubbard diamond chain in the quasiatomic limit.

We study the geometrical frustration of an extended Hubbard model on a diamond chain, where vertical lines correspond to the hopping and repulsive Coulomb interaction terms between sites while the remaining lines represent only the Coulomb repulsion term. The phase diagrams at zero temperature show quite curious phases: five types of frustrated states and four types of nonfrustrated states, ordered antiferromagnetically. Although a decoration transformation was derived for spin-coupling systems, this approach can be applied to electron-coupling systems. Thus the extended Hubbard model can be mapped onto another effective extended Hubbard model in the atomic limit with additional three- and four-body couplings. This effective model is solved exactly using the transfer-matrix method. In addition, using the exact solution of this model, we discuss several thermodynamic properties away from the half-filled band, such as chemical potential behavior, electronic density, and entropy, for which we study geometrical frustration. Consequently, we investigate the specific heat as well.

Thermal entanglement of a spin-1/2 Ising-Heisenberg model on a symmetrical diamond chain.

The entanglement quantum properties of a spin-1/2 Ising-Heisenberg model on a symmetrical diamond chain were analyzed. Due to the separable nature of the Ising-type exchange interactions between neighboring Heisenberg dimers, calculation of the entanglement can be performed exactly for each individual dimer. Pairwise thermal entanglement was studied in terms of the isotropic Ising-Heisenberg model and analytical expressions for the concurrence (as a measure of bipartite entanglement) were obtained. The effects of external magnetic field H and next-nearest neighbor interaction J(m) between nodal Ising sites were considered. The ground state structure and entanglement properties of the system were studied in a wide range of coupling constant values. Various regimes with different values of ground state entanglement were revealed, depending on the relation between competing interaction strengths. Finally, some novel effects, such as the two-peak behavior of concurrence versus temperature and coexistence of phases with different values of magnetic entanglement, were observed.

A frustrated three-dimensional antiferromagnet: stacked J1-J2 layers.

We study a frustrated 3D antiferromagnet of stacked J(1)-J(2) layers. The intermediate 'quantum spin liquid' phase, present in the 2D case, narrows with increasing interlayer coupling and vanishes at a triple point. Beyond this, there is a direct first-order transition from Néel to columnar order. Possible applications to real materials are discussed.

Two-dimensional XXZ -Ising model on a square-hexagon lattice.

We study a two-dimensional XXZ -Ising model on a square-hexagon (denoted for simplicity by 4-6) lattice with spin 1/2. The phase diagram at zero temperature is discussed, where five states are found, two types of ferrimagnetic states, two types of antiferromagnetic states, and one ferromagnetic state. To solve this model, we have mapped onto the eight-vertex model with union Jack interaction term, and it was verified that the model cannot be completely mapped onto eight-vertex model. However, by imposing an exact solution condition, we have found the region where the XXZ -Ising model on 4-6 lattice is exactly soluble with one free parameter, particularly for the case of symmetric eight-vertex model condition. In this manner we have explored the properties of the system and have analyzed the interacting competition parameters which preserve the region where there is an exact solution. Unfortunately the present model does not satisfy the free fermion condition of the eight-vertex model, unless for a trivial solution. Even so, we are able to discuss the critical point region, beyond the region of exact resolvability.

Thermodynamics of the Mn(12)-ac molecule in a skew magnetic field at [Formula: see text] K.

We derive the high-temperature expansion of the Helmholtz free energy of the quantum and classical models for the Mn(12)-ac molecule in the presence of a skew magnetic field, including the transverse term in the Hamiltonians, for [Formula: see text] K. In this region of temperature, we show that the transverse term can give a measurable contribution to the x component of the magnetization. We obtain the specific heat per site of a powder sample of Mn(12)-ac under a constant magnetic field. For strong skew magnetic fields (h/D>1), the specific heat differs up to 20% from its value of a crystal sample under purely longitudinal magnetic fields. Finally, we obtain that in the limit [Formula: see text], the values of the classical and quantum specific heat differ; in particular, for [Formula: see text] this difference is 0.96%.