SearcharxivSearch

arXiv subjects

Oleg Derzhko

Publications and source records attributed to Oleg Derzhko.

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 ${\bf k}(\omega)$ 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

Unusual low-temperature behavior in the half-filled band of the one-dimensional extended Hubbard model in atomic limit

Recently, a kind of finite-temperature pseudo-transition was observed in several quasi-one-dimensional models. In this work, we consider a genuine one-dimensional extended Hubbard model in the atomic limit, influenced by an external magnetic field and with the arbitrary number of particles controlled by the chemical potential. The one-dimensional extended Hubbard model in the atomic limit was initially studied in the seventies and has been investigated over the past decades, but it still surprises us today with its fascinating properties. We rigorously analyze its low-temperature behavior using the transfer matrix technique and provide accurate numerical results. Our analysis confirms that there is an anomalous behavior in the half-filled band, specifically occurring between the alternating pair (AP) and paramagnetic (PM) phases at zero temperature. Previous investigations did not deeply identify this anomalous behavior, maybe due to the numerical simplicity of the model, but from analytical point of view this is not so easy to manipulate algebraically because one needs to solve an algebraic cubic equation. In this study, we explore this behavior and clearly distinguish the pseudo-transition, which could easily be mistaken with a real phase transition. This anomalous behavior mimics features of both first- and second-order phase transitions. However, due to its nature, we cannot expect a finite-temperature phase transition in this model.

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

Thermodynamics of the spin-half square-kagome lattice antiferromagnet

Over the last decade, the interest in the spin-$1/2$ 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. Here, we present large-scale numerical investigations of the specific heat $C(T)$, the entropy $S(T)$ as well as the susceptibility $χ(T)$ by means of the finite-temperature Lanczos method for system sizes of $N=18,24,30,36,42,48$, and $N=54$. 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 $S(T)$, where a change in the curvature is present just at about $T/J=0.2$, the same temperature where the shoulder in $C$ 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 $χ(T)$ is found at a pretty low temperature $T_{\rm max}/J=0.146$ (for $N=42$) compared to $T_{\rm max}/J=0.935$ 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 $T$. 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 as well discussed.

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

Flat-band physics in the spin-1/2 sawtooth chain

We consider the strongly anisotropic spin-1/2 $XXZ$ model on the sawtooth-chain lattice with ferromagnetic longitudinal interaction $J^{zz}=ΔJ$ and aniferromagnetic transversal interaction $J^{xx}=J^{yy}=J>0$. At $Δ=-1/2$ the lowest one-magnon excitation band is dispersionless (flat) leading to a massively degenerate set of ground states. Interestingly, this model admits a three-coloring representation of the ground-state manifold [H.~J.~Changlani et at., Phys. Rev. Lett. {\bf 120}, 117202 (2018)]. We characterize this ground-state manifold and elaborate the low-temperature thermodynamics of the system. We illustrate the manifestation of the flat-band physics of the anisotropic model by comparison with two isotropic flat-band Heisenberg sawtooth chains. Our analytical consideration is complemented by exact diagonalization and finite-temperature Lanczos method calculations.

cond-mat.str-el

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

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.

cond-mat.stat-mech

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

Thermodynamics of the pyrochlore-lattice quantum Heisenberg antiferromagnet

We use the rotation-invariant Green's function method (RGM) and the high-temperature expansion (HTE) to study the thermodynamic properties of the Heisenberg antiferromagnet on the pyrochlore lattice. We discuss the excitation spectra as well as various thermodynamic quantities, such as spin correlations, uniform susceptibility, specific heat and static and dynamical structure factors. For the ground state we present RGM data for arbitrary spin quantum numbers $S$. At finite temperatures we focus on the extreme quantum cases $S=1/2$ and $S=1$. We do not find indications for magnetic long-range order for any value of $S$. We discuss the width of the pinch point in the static structure factor in dependence on temperature and spin quantum number. We compare our data with experimental results for the pyrochlore compound NaCaNi$_2$F$_7$ ($S=1$). Thus, our results for the dynamical structure factor agree well with the experimentally observed features at 3 \ldots 8~meV for NaCaNi$_2$F$_7$. We analyze the static structure factor ${S}_{\bf q}$ to find regions of maximal ${S}_{\bf q}$. The high-temperature series of the ${S}_{\bf q}$ provide a fingerprint of weak {\it order by disorder} selection of a collinear spin structure, where (classically) the total spin vanishes on each tetrahedron and neighboring tetrahedra are dephased by $π$.

cond-mat.str-el