arXiv subjects

Alfred Hucht

Publications and source records attributed to Alfred Hucht.

At least 19 recordsLinked to original sources

arXiv2024

The anisotropic square lattice Ising model with quenched surface disorder

Using exact enumeration, the surface free energy as well as the critical Casimir amplitude and Casimir force are calculated for the square lattice Ising model with anisotropic couplings and quenched surface disorder on one surface in cylinder geometry at criticality. The system shape is characterized by the aspect ratio $L/M$, where the cylinder length $L$ can take arbitrary values, including $L\to\infty$, while the circumference $M$ is varied from $M=4$ to $M=54$, resulting in up to $2^{54}$ numerically exact free energy calculations. A careful $M\to\infty$ extrapolation shows that quenched surface disorder is irrelevant in two dimensions, but gives rise to logarithmic corrections.

cond-mat.stat-mech↗

arXiv2023

Random Matrices and the Free Energy of Ising-Like Models with Disorder

We consider an Ising model with quenched surface disorder, the disorder average of the free energy is the main object of interest. Explicit expressions for the free energy distribution are difficult to obtain if the quenched surface spins take values of $\pm 1$. Thus, we choose a different approach and model the surface disorder by Gaussian random matrices. The distribution of the free energy is calculated. We chose skew-circulant random matrices and analytically compute the characteristic function of the free energy distribution. From the characteristic function we numerically calculate the distribution and show that it becomes log-normal for sufficiently large dimensions of the disorder matrices, and in the limit of infinitely large matrices tends to a Gaussian. Furthermore, we establish a connection to the central limit theorem.

math-ph↗

arXiv2023

Kibble-Zurek dynamics in the anisotropic Ising model of the Si(001) surface

As a simplified description of the non-equilibrium dynamics of buckled dimers on the Si(001) surface, we consider the anisotropic 2D Ising model and study the freezing of spatial correlations during a cooling quench across the critical point. Depending on the cooling rate, we observe a crossover from 1D to 2D behavior. For rapid cooling, we find effectively 1D behavior in the strongly coupled direction, for which we provide an exact analytic solution of the non-equilibrium dynamics. For slower cooling rates, we start to see 2D behavior where our numerical simulations show an approach to the usual Kibble-Zurek scaling in 2D.

cond-mat.stat-mech↗

arXiv2023

Critical behavior of the dimerized Si(001) surface: Continuous order-disorder phase transition in the two-dimensional Ising universality class

The critical behavior of the order-disorder phase transition in the buckled dimer structure of the Si(001) surface is investigated both theoretically by means of first-principles calculations and experimentally by spot profile analysis low-energy electron diffraction (SPA-LEED). We use density functional theory (DFT) with three different functionals commonly used for Si to determine the coupling constants of an effective lattice Hamiltonian describing the dimer interactions. Experimentally, the phase transition from the low-temperature $c(4 {\times} 2)$- to the high-temperature $p(2 {\times} 1)$-reconstructed surface is followed through the intensity and width of the superstructure spots within the temperature range 78-400 K. Near the critical temperature $T_c = 190.6\,\mathrm{K}$, we observe universal critical behavior of spot intensities and correlation lengths which falls into the universality class of the two-dimensional (2D) Ising model. From the ratio of correlation lengths along and across the dimer rows we determine effective nearest-neighbor couplings of an anisotropic 2D Ising model, $J_\parallel = (-24.9 \pm 0.9_\mathrm{stat} \pm 1.3_\mathrm{sys})\,\mathrm{meV}$ and $J_\perp = (-0.8 \pm 0.1_\mathrm{stat})\,\mathrm{meV}$. We find that the experimentally determined coupling constants of the Ising model can be reconciled with those of the more complex lattice Hamiltonian from DFT when the critical behavior is of primary interest. The anisotropy of the interactions derived from the experimental data via the 2D Ising model is best matched by DFT calculations using the PBEsol functional. The trends in the calculated anisotropy are consistent with the surface stress anisotropy predicted by the DFT functionals, pointing towards the role of surface stress reduction as a driving force for establishing the $c(4 {\times} 2)$-reconstructed ground state.

cond-mat.mes-hall↗

arXiv2023

Independent and coherent transitions between antiferromagnetic states of few-molecule systems

Spin-electronic devices are poised to become part of mainstream microelectronic technology .Downsizing them, however, faces the intrinsic difficulty that as ferromagnets become smaller, it becomes more difficult to stabilize their magnetic moment. Antiferromagnets are much more stable, and thus research on antiferromagnetic spintronics has developed into a fast-growing field. Here, we provide proof of concept data that allows us to expand the area of antiferromagnetic spintronics to the hitherto elusive level of individual molecules. In contrast to all previous work on molecular spintronics, our detection scheme of the molecule's spin state does not rely on a magnetic moment. Instead, we use field-effect transistor devices constituting of an isolated, contacted single-wall carbon nanotube covalently bound to a limited number of molecular antiferromagnets incorporating four Mn(II) or Co(II) ions. Time-dependent quantum transport measurement along the functionalized nanotube show step-like transitions between several distinct current levels, which we attribute to transitions between different antiferromagnetic states of individual molecular complexes grafted on the nanotube. A statistical analysis of the switching events using factorial cumulants indicates that the cobalt complexes switch independently from each other, while a coherent superposition of the antiferromagnetic spin states of the molecules along the nanotube is observed for the manganese complexes. The long coherence time (several seconds at 100 mK) is made possible by the absence of spin and orbital momentum in the relevant states of the manganese complex, while the cobalt complex includes a significant orbital momentum contribution due to the pseudo-octahedral d$^7$ metal centers.

cond-mat.mes-hall↗

arXiv2023

Dimer Coupling Energies of the Si(001) Surface

The coupling energies between the buckled dimers of the Si(001) surface were determined through analysis of the anisotropic critical behavior of its order-disorder phase transition. Spot profiles in high-resolution low-energy electron diffraction as a function of temperature were analyzed within the framework of the anisotropic two-dimensional Ising model. The validity of this approach is justified by the large ratio of correlation lengths, $\xi_\parallel^+/\xi_\perp^+ = 5.2$ of the fluctuating $c(4 {\times} 2)$ domains above the critical temperature $T_\mathrm{c} = (190.6 \pm 10)$ K. We obtain effective couplings $J_\parallel = (-24.9 \pm 1.3)$ meV along the dimer rows and $J_\perp = (-0.8 \pm 0.1)$ meV across the dimer rows, i.e., antiferromagnetic-like coupling of the dimers with $c(4 {\times} 2)$ symmetry.

cond-mat.mes-hall↗

arXiv2022

Transfer-matrix summation of path integrals for transport through nanostructures

On the basis of the method of iterative summation of path integrals (ISPI), we develop a numerically exact transfer-matrix method to describe the nonequilibrium properties of interacting quantum-dot systems. For this, we map the ISPI scheme to a transfer-matrix approach, which is more accessible to physical interpretation, allows for a more transparent formulation of the theory, and substantially improves the efficiency. In particular, the stationary limit is directly implemented, without the need of extrapolation. The resulting new method, referred to as "transfer-matrix summation of path integrals" (TraSPI), is then applied to resonant electronic transport through a single-level quantum dot.

cond-mat.mes-hall↗

arXiv2021

The square lattice Ising model on the rectangle III: Hankel and Toeplitz determinants

Based on the results obtained in [Hucht, J. Phys. A: Math. Theor. 50, 065201 (2017)], we show that the partition function of the anisotropic square lattice Ising model on the $L \times M$ rectangle, with open boundary conditions in both directions, is given by the determinant of a $M/2 \times M/2$ Hankel matrix, that equivalently can be written as the Pfaffian of a skew-symmetric $M \times M$ Toeplitz matrix. The $M-1$ independent matrix elements of both matrices are Fourier coefficients of a certain symbol function, which is given by the ratio of two characteristic polynomials. These polynomials are associated to the different directions of the system, encode the respective boundary conditions, and are directly related through the symmetry of the considered Ising model under exchange of the two directions. The results can be generalized to other boundary conditions and are well suited for the analysis of finite-size scaling functions in the critical scaling limit using Szegő's theorem.

math-ph↗

arXiv2021

Newton series expansion of bosonic operator functions

We show how series expansions of functions of bosonic number operators are naturally derived from finite-difference calculus. The scheme employs Newton series rather than Taylor series known from differential calculus, and also works in cases where the Taylor expansion fails. For a function of number operators, such an expansion is automatically normal ordered. Applied to the Holstein-Primakoff representation of spins, the scheme yields an exact series expansion with a finite number of terms and, in addition, allows for a systematic expansion of the spin operators that respects the spin commutation relations within a truncated part of the full Hilbert space. Furthermore, the Newton series expansion strongly facilitates the calculation of expectation values with respect to coherent states. As a third example, we show that factorial moments and factorial cumulants arising in the context of photon or electron counting are a natural consequence of Newton series expansions. Finally, we elucidate the connection between normal ordering, Taylor and Newton series by determining a corresponding integral transformation, which is related to the Mellin transform.

quant-ph↗

arXiv2019

Anisotropic scaling of the two-dimensional Ising model II: surfaces and boundary fields

Based on the results published recently [SciPost Phys. 7, 026 (2019)], the influence of surfaces and boundary fields are calculated for the ferromagnetic anisotropic square lattice Ising model on finite lattices as well as in the finite-size scaling limit. Starting with the open cylinder, we independently apply boundary fields on both sides which can be either homogeneous or staggered, representing different combinations of boundary conditions. We confirm several predictions from scaling theory, conformal field theory and renormalisation group theory: we explicitly show that anisotropic couplings enter the scaling functions through a generalised aspect ratio, and demonstrate that open and staggered boundary conditions are asymptotically equal in the scaling regime. Furthermore, we examine the emergence of the surface tension due to one antiperiodic boundary in the system in the presence of symmetry breaking boundary fields, again for finite systems as well as in the scaling limit. Finally, we extend our results to the antiferromagnetic Ising model.

cond-mat.stat-mech↗

arXiv2019

Anisotropic scaling of the two-dimensional Ising model I: the torus

We present detailed calculations for the partition function and the free energy of the finite two-dimensional square lattice Ising model with periodic and antiperiodic boundary conditions, variable aspect ratio, and anisotropic couplings, as well as for the corresponding universal free energy finite-size scaling functions. Therefore, we review the dimer mapping, as well as the interplay between its topology and the different types of boundary conditions. As a central result, we show how both the finite system as well as the scaling form decay into contributions for the bulk, a characteristic finite-size part, and - if present - the surface tension, which emerges due to at least one antiperiodic boundary in the system. For the scaling limit we extend the proper finite-size scaling theory to the anisotropic case and show how this anisotropy can be absorbed into suitable scaling variables.

cond-mat.stat-mech↗

arXiv2018

The square lattice Ising model on the rectangle I: Finite systems

The partition function of the square lattice Ising model on the rectangle with open boundary conditions in both directions is calculated exactly for arbitrary system size $L\times M$ and temperature. We start with the dimer method of Kasteleyn, McCoy & Wu, construct a highly symmetric block transfer matrix and derive a factorization of the involved determinant, effectively decomposing the free energy of the system into two parts, $F(L,M)=F_\mathrm{strip}(L,M)+F_\mathrm{strip}^\mathrm{res}(L,M)$, where the residual part $F_\mathrm{strip}^\mathrm{res}(L,M)$ contains the nontrivial finite-$L$ contributions for fixed $M$. It is given by the determinant of a $\frac{M}{2}\times \frac{M}{2}$ matrix and can be mapped onto an effective spin model with $M$ Ising spins and long-range interactions. While $F_\mathrm{strip}^\mathrm{res}(L,M)$ becomes exponentially small for large $L/M$ or off-critical temperatures, it leads to important finite-size effects such as the critical Casimir force near criticality. The relations to the Casimir potential and the Casimir force are discussed.

math-ph↗

arXiv2017

Interplay of phase sequence and electronic structure in the modulated martensites of Mn$_2$NiGa from first-principles

We investigate relative stability, structural properties and electronic structure of various modulated martensites of the magnetic shape memory alloy Mn$_{2}$NiGa by means of density functional theory. We observe that the instability in the high-temperature cubic structure first drives the system to a structure where modulation shuffles with a period of six atomic planes are taken into account. The driving mechanism for this instability is found to be the nesting of the minority band Fermi surface, in a similar way as established for the prototype system Ni$_{2}$MnGa. In agreement with experiments, we find 14M modulated structures with orthorhombic and monoclinic symmetries having energies lower than other modulated phases with same symmetry. In addition, we also find energetically favourable 10M modulated structures which have not been observed experimentally for this system yet. The relative stability of various martensites is explained in terms of changes in the electronic structures near the Fermi level, affected mostly by the hybridisation of Ni and Mn states. Our results indicate that the maximum achievable magnetic field-induced strain in Mn$_{2}$NiGa would be larger than in Ni$_{2}$MnGa. However, the energy costs for creating nanoscale adaptive twin boundaries are found to be one order of magnitude higher than that in Ni$_{2}$MnGa.

cond-mat.mtrl-sci↗

arXiv2017

Many-body critical Casimir interactions in colloidal suspensions

We study the fluctuation-induced Casimir interactions in colloidal suspensions, especially between colloids immersed in a binary liquid close to its critical demixing point. To simulate these systems, we present a highly efficient cluster Monte Carlo algorithm based on geometric symmetries of the Hamiltonian. Utilizing the principle of universality, the medium is represented by an Ising system while the colloids are areas of spins with fixed orientation. Our results for the Casimir interaction potential between two particles at the critical point in two dimensions perfectly agree with the exact predictions. However, we find that in finite systems the behavior strongly depends on whether the $Z_{2}$ symmetry of the system is broken by the particles. Eventually we present Monte Carlo results for the three-body Casimir interaction potential and take a close look onto the case of one particle in the vicinity of two adjacent particles, which can be calculated from the two-particle interaction by a conformal mapping. These results emphasize the failure of the common decomposition approach for many-particle critical Casimir interactions.

cond-mat.soft↗

arXiv2017

The square lattice Ising model on the rectangle II: Finite-size scaling limit

Based on the results published recently [J. Phys. A: Math. Theor. 50, 065201 (2017)], the universal finite-size contributions to the free energy of the square lattice Ising model on the $L\times M$ rectangle, with open boundary conditions in both directions, are calculated exactly in the finite-size scaling limit $L,M\to\infty$, $T\to T_\mathrm{c}$, with fixed temperature scaling variable $x\propto(T/T_\mathrm{c}-1)M$ and fixed aspect ratio $ρ\propto L/M$. We derive exponentially fast converging series for the related Casimir potential and Casimir force scaling functions. At the critical point $T=T_\mathrm{c}$ we confirm predictions from conformal field theory by Cardy & Peschel [Nucl. Phys. B 300, 377 (1988)] and by Kleban & Vassileva [J. Phys. A: Math. Gen. 24, 3407 (1991)]. The presence of corners and the related corner free energy has dramatic impact on the Casimir scaling functions and leads to a logarithmic divergence of the Casimir potential scaling function at criticality.

math-ph↗

arXiv2016

Critical Casimir force scaling functions of the two-dimensional Ising model at finite aspect ratios

We present a systematic method to calculate the universal scaling functions for the critical Casimir force and the according potential of the two-dimensional Ising model with various boundary conditions. Therefore we start with the dimer representation of the corresponding partition function $Z$ on an $L\times M$ square lattice, wrapped around a torus with aspect ratio $ρ=L/M$. By assuming periodic boundary conditions and translational invariance in at least one direction, we systematically reduce the problem to a $2\times2$ transfer matrix representation. For the torus we first reproduce the results by Kaufman and then give a detailed calculation of the scaling functions. Afterwards we present the calculation for the cylinder with open boundary conditions. All scaling functions are given in form of combinations of infinite products and integrals. Our results reproduce the known scaling functions in the limit of thin films $ρ\to 0$. Additionally, for the cylinder at criticality our results confirm the predictions from conformal field theory.

cond-mat.stat-mech↗

arXiv2015

Detection of interactions via generalized factorial cumulants in systems in and out of equilibrium

We introduce time-dependent, generalized factorial cumulants $C_s^m(t)$ of the full counting statistics of electron transfer as a tool to detect interactions in nanostructures. The violation of the sign criterion $(-1)^{m-1} C^m_s(t)\ge0$ for \emph{any} time $t$, order $m$, and parameter $s$ proves the presence of interactions. For given system parameters, there is a minimal time span $t_\text{min}$ and a minimal order $m$ to observe the violation of the sign criterion. We demonstrate that generalized factorial cumulants are more sensitive to interactions than ordinary ones and can detect interactions even in regimes where ordinary factorial cumulants fail. We illustrate our findings with the example of a quantum dot tunnel coupled to electronic reservoirs either in or out of equilibrium.

cond-mat.mes-hall↗

arXiv2014

Comment on "Casimir force in the $O(n\to\infty)$ model with free boundary conditions"

In a recent paper [D. Dantchev, J. Bergnoff, and J. Rudnick, Phys. Rev. E 89, 042116 (2014)] the problem of the Casimir force in the $O(n)$ model on a slab with free boundary conditions, investigated earlier by us [EPL 100, 10004 (2012)], is reconsidered using a mean spherical model with separate constraints for each layer. The authors (i) question the applicability of the Ginzburg-Landau-Wilson approach to the low-temperature regime, arguing for the superiority of their model compared to the family of $ϕ^4$ models A and B whose numerically exact solutions we determined both for values of the coupling constant $0<g<\infty$ and $g=\infty$. They (ii) report consistency of their results with ours in the critical region and a strong manifestation of universality, but (iii) point out discrepancies with our results in the region below $T_{\mathrm{c}}$. We show here that (i) is unjustified and prove that our model B with $g=\infty$ is identical to their spherical model. Hence evidence for the reported universality is already contained in our work. Moreover, the results we determined for anyone of the models A and B for various thicknesses $L$ are all numerically exact. (iii) is due to their misinterpretation of our results for the scaling limit. We also show that their low-temperature expansion, which does not hold inside the scaling regime, is limited to temperatures lower than they anticipated.

cond-mat.stat-mech↗