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Taras Krokhmalskii

Publications and source records attributed to Taras Krokhmalskii.

At least 19 recordsLinked to original sources

Manipulation of electromagnetic wave propagation in quantum-spin-chain medium

We consider a simple model of one-dimensional magnetic crystal and examine the propagation of an electromagnetic wave through such a medium. Calculating the dispersion relation ${\bf k}(ω)$ allows us to illustrate how the spread of the electromagnetic wave can be controlled by an external magnetic field. Our rigorous calculations should be useful for more realistic (and less tractable mathematically) models of magnetic media.

cond-mat.str-el↗

Quantum Heisenberg antiferromagnet in a field on the Tasaki square lattice

We consider the $S=1/2$ Heisenberg antiferromagnet on the Tasaki square lattice (flat-band spin system) and study its low-temperature thermodynamics around the saturation magnetic field. To this end, we construct a mapping of the ground states in the subspaces with total $S^z=N/2,\ldots,N/3$ ($N$ is the number of lattice sites) on the hard squares on an auxiliary square lattice and use classical Monte Carlo simulations to examine the latter classical system. The most prominent feature of the $S=1/2$ Heisenberg antiferromagnet on the Tasaki square lattice is an order-disorder phase transition which occurs at a low temperature just below the saturation magnetic field and belongs to the 2D Ising universality class.

cond-mat.str-el↗

Thermodynamics of the hyperkagome-lattice $S=1/2$ Heisenberg ferromagnet

The hyperkagome-lattice $S=1/2$ Heisenberg ferromagnet is studied by means of the linear spin-wave theory, the double-time temperature Green's function method, high-temperature expansions series analysis, and quantum Monte Carlo simulations to examine the effect of lattice geometry on the finite-temperature properties. In particular, we have found that the Curie temperature $T_c$ for the hyperkagome-lattice (frustrated lattice) ferromagnet is about $0.33\vert J\vert$ that is smaller than $T_c$ for the diamond-lattice (another three-dimensional lattice with the same coordination number 4 but bipartite one) ferromagnet by about $25\%$.

cond-mat.str-el↗

Frustrated kagome-lattice bilayer quantum Heisenberg antiferromagnet

We consider the $S=1/2$ antiferromagnetic Heisenberg model on a frustrated kagome-lattice bilayer with strong nearest-neighbor interlayer coupling and examine its low-temperature magnetothermodynamics using a mapping onto a rhombi gas on the kagome lattice. Besides, we use finite-size numerics to illustrate the validity of the classical lattice-gas description. Among our findings there are i) the absence of an order-disorder phase transition and ii) the sensitivity of the specific heat at low temperatures to the shape of the system just below the saturation magnetic field even in the thermodynamic limit.

cond-mat.str-el↗

Thermodynamics of the $S=1/2$ hyperkagome-lattice Heisenberg antiferromagnet

The $S=1/2$ hyperkagome-lattice Heisenberg antiferromagnet allows to study the interplay of geometrical frustration and quantum as well as thermal fluctuations in three dimensions. We use 16 terms of a high-temperature series expansion complemented by the entropy-method interpolation to examine the specific heat and the uniform susceptibility of this model. We obtain thermodynamic quantities for several possible scenarios determined by the behavior of the specific heat as $T\to 0$: A power-law decay with the exponent $α=1,2$ and also $3$ (gapless energy spectrum) or an exponential decay (gapped energy spectrum). All scenarios give rise to a low-temperature peak in $c(T)$ (almost a shoulder for $α=1$) at $T<0.05$, i.e., well below the main high-temperature peak. The functional form of the uniform susceptibility $χ(T)$ below about $T=0.5$ depends strongly not only on the chosen scenario but also on an input parameter $χ_0\equivχ(T=0)$. An estimate for the ground-state energy $e_0$ depends on the adopted specific scenario but is expected to lie between $-0.441$ and $-0.435$. In addition to the entropy-method interpolation we use the finite-temperature Lanczos method to calculate $c(T)$ and $χ(T)$ for finite lattices of $N=24$ and $36$ sites. A combined view on both methods leads us to favor the gapless scenario with $α=2$ (but $α=1$ cannot be excluded) and finite $χ_0$ around $0.1$.

cond-mat.str-el↗

One-dimensionally confined ammonia molecules: A theoretical study

We examine a single-file chain of ammonia molecules in a carbon nanotube. To this end, we use i) molecular dynamics simulations (combined with the charges for ammonia nitrogen and hydrogen obtained from quantum chemistry) and ii) lattice-model calculations [M.~Druchok {\it et al.}, J. Chem. Phys. {\bf 158}, 104304 (2023)]. Our findings demonstrate the occurrence of the orientational quasiorder of the ammonia dipoles, which become parallel to the tube axis, at intermediate temperatures below $100$~K.

cond-mat.stat-mech↗

Spin-half Heisenberg antiferromagnet on a symmetric sawtooth chain: Rotation-invariant Green's functions and high-temperature series

We apply the rotation-invariant Green's function method to study the finite-temperature properties of a $S{=}1/2$ sawtooth-chain (also called $Δ$-chain) antiferromagnetic Heisenberg model at the fully frustrated point when the exchange couplings along the straight-line and zig-zag paths are equal. We also use 13 terms of high-temperature expansion series and interpolation methods to get thermodynamic quantities for this model. We check the obtained predictions for observable quantities by comparison with numerics for finite systems. Although our work refers to a one-dimensional case, the utilized methods work in higher dimensions too and are applicable for examining other frustrated quantum spin lattice systems at finite temperatures.

cond-mat.str-el↗

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

Recently, X.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-dimensionally 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 the both ingredients provide an explanation for a temperature-driven orientational ordering of the water molecules, which persists within a relatively wide temperature range.

cond-mat.stat-mech↗

Quantum Heisenberg model on a sawtooth-chain lattice: Rotation-invariant Green's function method

We apply the rotation-invariant Green's function method (RGM) to study the spin $S=1/2$ Heisenberg model on a one-dimensional sawtooth lattice, which has two nonequivalent sites in the unit cell. We check the RGM predictions for observable quantities by comparison with the exact-diagonalization and finite-temperature-Lanczos calculations. We discuss the thermodynamic and dynamic properties of this model in relation to the mineral atacamite Cu$_2$Cl(OH)$_3$ complementing the RGM outcomes by results of other approaches.

cond-mat.str-el↗

Spin-1/2 $XX$ chain in a transverse field with regularly alternating $g$-factors: Static and dynamic properties

We consider the spin-1/2 isotropic $XY$ chain in an external magnetic field directed along $z$ axis with periodically varying $g$-factors. To reveal the effects of regularly alternating $g$-factors, we calculate various static and dynamic equilibrium quantities in the ground state and at finite temperatures. We demonstrate that because of the regularly alternating $g$-factors the saturation field may disappear and the field dependence of the susceptibility in the ground state has additional logarithmic singularity at zero field. Moreover, the zero-field susceptibility has a logarithmic singularity as $T\to 0$. Furthermore, the dynamic structure factors exhibit much more structure in the "wave vector -- frequency" plane that can be traced out to modifications of the two-fermion excitation continua which exclusively determine $S_{zz}(κ,ω)$ and dominate the properties of $S_{xx}(κ,ω)$. We discuss what changes can be observed in dynamic experiments on the corresponding substances.

cond-mat.str-el↗

Low-temperature thermodynamics of the two-leg ladder Ising model with trimer rungs: A mystery explained

Recently, a surprising low-temperature behavior has been revealed in a two-leg ladder Ising model with trimer rungs (Weiguo Yin, arXiv:2006.08921). Motivated by these findings, we study this model from another perspective and demonstrate that the reported observations are related to a critical phenomenon in the standard Ising chain. We also discuss a related curiosity, namely, the emergence of a power-law behavior characterized by quasicritical exponents.

cond-mat.stat-mech↗

Adapting Planck's route to investigate the thermodynamics of the spin-half pyrochlore Heisenberg antiferromagnet

The spin-half pyrochlore Heisenberg antiferromagnet (PHAF) is one of the most challenging problems in the field of highly frustrated quantum magnetism. Stimulated by the seminal paper of M.~Planck [M.~Planck, Verhandl. Dtsch. phys. Ges. {\bf 2}, 202-204 (1900)] we calculate thermodynamic properties of this model by interpolating between the low- and high-temperature behavior. For that we follow ideas developed in detail by B.~Bernu and G.~Misguich and use for the interpolation the entropy exploiting sum rules [the ``entropy method'' (EM)]. We complement the EM results for the specific heat, the entropy, and the susceptibility by corresponding results obtained by the finite-temperature Lanczos method (FTLM) for a finite lattice of $N=32$ sites as well as by the high-temperature expansion (HTE) data. We find that due to pronounced finite-size effects the FTLM data for $N=32$ are not representative for the infinite system below $T \approx 0.7$. A similar restriction to $T \gtrsim 0.7$ holds for the HTE designed for the infinite PHAF. By contrast, the EM provides reliable data for the whole temperature region for the infinite PHAF. We find evidence for a gapless spectrum leading to a power-law behavior of the specific heat at low $T$ and for a single maximum in $c(T)$ at $T\approx 0.25$. For the susceptibility $χ(T)$ we find indications of a monotonous increase of $χ$ upon decreasing of $T$ reaching $χ_0 \approx 0.1$ at $T=0$. Moreover, the EM allows to estimate the ground-state energy to $e_0\approx -0.52$.

cond-mat.str-el↗

Towards low-temperature peculiarities of thermodynamic quantities for decorated spin chains

We discuss the origin of an enigmatic low-temperature behavior of one-dimensional decorated spin systems which was coined the pseudo-transition. Tracing out the decorated parts results in the standard Ising-chain model with temperature-dependent parameters and the unexpected low-temperature behavior of thermodynamic quantities and correlations of the decorated spin chains can be tracked down to the critical point of the standard Ising-chain model at ${\sf H}=0$ and ${\sf T}=0$. We illustrate this perspective using as examples the spin-1/2 Ising-XYZ diamond chain, the coupled spin-electron double-tetrahedral chain, and the spin-1/2 Ising-Heisenberg double-tetrahedral chain.

cond-mat.stat-mech↗

Thermodynamic properties of Ba$_2$CoSi$_2$O$_6$Cl$_2$ in strong magnetic field: Realization of flat-band physics in a highly frustrated quantum magnet

The search for flat-band solid-state realizations is a crucial issue to verify or to challenge theoretical predictions for quantum many-body flat-band systems. For frustrated quantum magnets flat bands lead to various unconventional properties related to the existence of localized many-magnon states. The recently synthesized magnetic compound Ba$_2$CoSi$_2$O$_6$Cl$_2$ seems to be an almost perfect candidate to observe these features in experiments. We develop a theory for Ba$_2$CoSi$_2$O$_6$Cl$_2$ by adapting the localized-magnon concept to this compound. We first show that our theory describes the known experimental facts and then we propose new experimental studies to detect a field-driven phase transition related to a Wigner-crystal-like ordering of localized magnons at low temperatures.

cond-mat.str-el↗

Frustrated honeycomb-lattice bilayer quantum antiferromagnet in a magnetic field

Frustrated bilayer quantum magnets have attracted attention as flat-band spin systems with unconventional thermodynamic properties. We study the low-temperature properties of a frustrated honeycomb-lattice bilayer spin-$\frac{1}{2}$ isotropic ($XXX$) Heisenberg antiferromagnet in a magnetic field by means of an effective low-energy theory using exact diagonalizations and quantum Monte Carlo simulations. Our main focus is on the magnetization curve and the temperature dependence of the specific heat indicating a finite-temperature phase transition in high magnetic fields.

cond-mat.str-el↗

Frustrated honeycomb-lattice bilayer quantum antiferromagnet in a magnetic field: Unconventional phase transitions in a two-dimensional isotropic Heisenberg model

We consider the spin-1/2 antiferromagnetic Heisenberg model on a bilayer honeycomb lattice including interlayer frustration in the presence of an external magnetic field. In the vicinity of the saturation field, we map the low-energy states of this quantum system onto the spatial configurations of hard hexagons on a honeycomb lattice. As a result, we can construct effective classical models (lattice-gas as well as Ising models) on the honeycomb lattice to calculate the properties of the frustrated quantum Heisenberg spin system in the low-temperature regime. We perform classical Monte Carlo simulations for a hard-hexagon model and adopt known results for an Ising model to discuss the finite-temperature order-disorder phase transition that is driven by a magnetic field at low temperatures. We also discuss an effective-model description around the ideal frustration case and find indications for a spin-flop like transition in the considered isotropic spin model.

cond-mat.str-el↗

Quantum-critical scaling of fidelity in 2D pairing models

The laws of quantum-critical scaling theory of quantum fidelity, dependent on the underlying system dimensionality $D$, have so far been verified in exactly solvable $1D$ models, belonging to or equivalent to interacting, quadratic (quasifree), spinless or spinfull, lattice-fermion models. The obtained results are so appealing that in quest for correlation lengths and associated universal critical indices $ν$, which characterize the divergence of correlation lengths on approaching critical points, one might be inclined to substitute the hard task of determining an asymptotic behavior of a two-point correlation function by an easier one, of determining the quantum-critical scaling of the quantum fidelity. However, the role of system's dimensionality has been left as an open problem. Our aim in this paper is to fill up this gap, at least partially, by verifying the laws of quantum-critical scaling theory of quantum fidelity in a $2D$ case. To this end, we study correlation functions and quantum fidelity of $2D$ exactly solvable models, which are interacting, quasifree, spinfull, lattice-fermion models. The considered $2D$ models exhibit new, as compared with $1D$ ones, features:at a given quantum-critical point there exists a multitude of correlation lengths and multiple universal critical indices $ν$, since these quantities depend on spatial directions, moreover, the indices $ν$ may assume larger values. These facts follow from the obtained by us analytical asymptotic formulae for two-point correlation functions. In such new circumstances we discuss the behavior of quantum fidelity from the perspective of quantum-critical scaling theory. In particular, we are interested in finding out to what extent the quantum fidelity approach may be an alternative to the correlation-function approach in studies of quantum-critical points beyond 1D.

quant-ph↗

Magnetism-driven ferroelectricity in spin-1/2 $XY$ chains

We illustrate the magnetoelectric effect conditioned by the Katsura-Nagaosa-Balatsky (KNB) mechanism within the frames of exactly solvable spin-1/2 $XY$ chains. Due to three-spin interactions which are present in our consideration, the magnetization (polarization) is influenced by the electric (magnetic) field even in the absence of the magnetic (electric) field. We also discuss a magnetoelectrocaloric effect examining the entropy changes under the isothermal varying of the magnetic or/and electric field.

cond-mat.str-el↗