Verification of a new quantum simulation approach through its application to two-dimensional Ising lattices

A new quantum simulation approach has been applied in the present work to the two-dimensional (2D) ferromagnetic and antiferromagnetic Ising lattices to calculate their magnetic structures, magnetizations, free energies and specific heats in the absence of an external magnetic field. Surprisingly, no size effects could be observed in our simulations performed for the Ising lattices of different sizes. Most importantly, our calculated spontaneous thermally averaged spins for the two kinds of systems are exactly same as those evaluated with quantum mean field theory, and the magnetic structures simulated at all chosen temperatures are perfectly ferromagnetic or antiferromagnetic, verifying the correctness and applicability of our quantum model and computational algorithm. On the other hand, if the classical Monte Carlo (CMC) method is applied to the ferromagnetic 2D Ising lattice with S=1, it is able to generate correct magnetization well consistent with Onsager's theory; but in the case of S=1/2, the computational results of CMC are incomparable to those predicted with the quantum mean field theory, giving rise to very much reduced magnetization and considerably underestimated Curie temperature. The difficulty met by the CMC method is mainly caused by its improperly calculated exchange energy of the randomly selected spin in every simulation step, especially immediately below the transition temperature, where the thermal averages of spins are much less than 1/2, however they are assigned to ±1/2 by CMC to evaluate the exchange energies of the spins, such improper manipulation is obviously impossible to lead the code to converge to the right equilibrium states of the spin systems.     

Spin density wave and ferromagnetism in a quasi-one-dimensional organic polymer

The spin density wave(SDW) — charge density wave(CDW) phase transition and the magnetic properties in a half-filled quasi-one-dimensional organic polymer are investigated by the world line Monte Carlo simulations. The itinerant π electrons moving along the polymer chain are coupled radically to localized unpaired d electrons, which are situated at every other site of the polymer chain. The results show that both ferromagnetic and anti-ferromagnetic radical couplings enhance the SDW phase and the ferromagnet order of the radical spins, but suppress the CDW phase. By finite size scaling, we are able to obtain the phase transition line in the parameter space. The ferromagnetic order of the radical spins are observed to coexist with the SDW phase. As compared to the system being free of the radical coupling, the phase transition line is shifted upward in the U-V parameter space in favor of larger V, where U is the on-site repulsion and V is the nearest-neighbor interaction between the π electrons. All of these findings can be understood qualitatively by a second-order perturbation theory starting from the classical state at zero temperature in the strong coupling limit. We also address the consequences of the radical coupling for the persistent current if the polymer chain is fabricated as a mesoscopic ring.     

Simulation of coexisting ferromagnetic order and disorder of geometrically frustrated Co2Cl(OH)3

The ground state and phase transition of Co₂Cl(OH)₃ were investigated by Monte Carlo simulation. This compound is a magnet, with a pyrochlore structure distorted along one axis. The magnetic structure at low temperatures consists of coexisting ferromagnetism and random spin, according to experiments. However, the formation mechanism of the coexistence and the interaction between the spins were unclear. We assumed an anisotropic Ising model and examined the ground state by multicanonical Monte Carlo simulation. In a nearest neighbor model, the ground states were highly degenerated. Almost all of the states were spin glass states, but a few of the states were ferromagnetic. The latter magnetic states were ferromagnetic at triangular layers and two in-one out random state at Kagome layers. The latter states should be stabilized if weak ferromagnetic interactions exist between second nearest neighbor spins and correspond to the states reported by the experiments. This expectation was confirmed by simulation.     

A quantum Monte Carlo study of the localizable entanglement in anisotropic ferromagnetic Heisenberg chains

We study the localizable entanglement in large one-dimensional anisotropic XYZ ferromagnetic Heisenberg chains interacting with a uniform magnetic field. With the use of quantum Monte Carlo simulations we calculate the bounds of localizable entanglement by means of the correlation functions. The present quantum Monte Carlo method has the advantage over existing methods that it can be readily applied to fully anisotropic magnetic chains.     

Ab initio study of electronic and magnetic properties in TM-doped 2D silicon carbide

The magnetic properties of SiC monolayer with different TM atoms and substitutional sites are investigated using first-principles method. Magnetism is observed for all the TM dopants. The magnetic moments and binding energies are quite different between Si (TM_Si) and C (TM_C) sites. Dependent to the larger magnetic moments and binding energy, we also investigate the interaction between two Mn atoms in the TM_Si system. The results show that the ferromagnetic states are originated by the p–d hybridization mechanism between Mn and its neighboring C atoms. Moreover, the antiferromagnetic coupling is observed with increasing Mn-Mn distance, which can be explained by two-impurity Haldane-Anderson model using quantum Monte Carlo method.     

Characterization of ferrimagnetic Heisenberg chains according to the constituent spins

The low-energy structure and the thermodynamic properties of ferrimagnetic Heisenberg chains of alternating spins S and s are investigated by the use of numerical tools as well as the spin-wave theory. The elementary excitations are calculated through an efficient quantum Monte Carlo technique featuring imaginary-time correlation functions and are characterized in terms of interacting spin waves. The thermal behavior is analyzed with particular emphasis on its ferromagnetic and antiferromagnetic dual aspect. The extensive numerical and analytic calculations lead to the classification of the one-dimensional ferrimagnetic behavior according to the constituent spins: the ferromagnetic (S>2s), antiferromagnetic (S<2s), and balanced (S=2s) ferrimagnetism. Received 27 August 1999 and Received in final form 15 November 1999     

Two-dimensional small particles coupled by dipolar interactions

We study the effect of the dipolar coupling on the magnetic properties of two small interacting ferromagnetic particles. Each particle is a two-dimensional array of Ising spins with a central spin surrounded by a variable number of shells. The coupling between spins inside each particle is ferromagnetic and the dipolar interaction between the particles is determined as a function of the number of shells, temperature, and distance between their centers. We investigate the system by mean-field approximation and Monte Carlo simulations. The dipolar interaction is calculated in two ways, one assuming effective spins in the centers of the particles, and the other directly computing the interactions among all the pairs of spins, one in each particle. We show that the difference in the corresponding dipolar energies is a power law on the distance with exponent 5. We calculate the magnetization and susceptibility as a function of temperature, number of shells and distance between the particles’ centers. We show that the critical temperature increases with the number of spins in each particle, and it is more noticeable in the mean-field calculations than in the Monte Carlo simulations.     

Nagaoka ferromagnetism in the two-dimensional infinite-U Hubbard model

We present different numerical calculations based on variational quantum Monte Carlo simulations supporting a ferromagnetic ground state for finite and small hole densities in the two-dimensional infinite-U Hubbard model. Moreover, by studying the energies of different total spin sectors, these calculations strongly suggest that the paramagnetic phase is unstable against a phase with a partial polarization for large hole densities delta approximately 0.40 with evidence for a second-order transition to the paramagnetic large doping phase.     

Thermodynamics of a quasi-one-dimensional spin system for molecule-based ferrimagnets

A physical picture of electron spin alignments in organic molecule-based ferrimagnets is given from numerical calculations of magnetic specific heat (C) and magnetic susceptibility (χ) as functions of temperature and static magnetic field (B) in terms of an Ising Hamiltonian for an alternating spin chain. The double-peak structure of specific heat appears for different parameter ratios and different magnetic field B, indicating that one peak originates from the ferromagnetic nature and the other from the antiferromagnetic nature. Meanwhile, we study successively the influence of intermolecular and intramolecular interaction on the magnetic susceptibility, showing that the ferromagnetic spin alignment in the alternating molecular chains of biradicals and monoradicals is equivalent to the ferromagnetic alignment of the effective S=1/2 spins. Our results are consistent with those of the Quantum Monte Carlo simulations and the exact diagonalization method and in qualitative agreement with the experimental ones.     

Magnetic properties of diluted magnetic semiconductors: Quantum Monte Carlo approach

The magnetic correlation between magnetic impurities in semiconductors is investigated by performing the quantum Monte Carlo (QMC) simulation. The Anderson Hamiltonian with the realistic parameters obtained by the local density approximation (LDA) calculation is employed. The LDA calculation gives a dispersion of the host (GaAs) electron and the mixing energy between host and magnetic impurity (Mn). The mixing between host and impurity electrons generates the impurity bound state in the energy gap of semiconductors. The long range ferromagnetic coupling is observed when the Fermi energy locates between the band edge and the impurity bound state. The ferromagnetic coupling is enhanced by decreasing temperature.     

Magnetic and optical properties of self-organized InMnAs quantum dots

Ten layers of self-assembled InMnAs quantum dots with InGaAs barrier were grown on high resistivity (1 0 0) p-type GaAs substrates by molecular beam epitaxy (MBE). The presence of ferromagnetic structure was confirmed in the InMnAs diluted magnetic quantum dots. The ten layers of self-assembled InMnAs quantum dots were found to be semiconducting, and have ferromagnetic ordering with a Curie temperature, T_C=80 K. It is likely that the ferromagnetic exchange coupling of sample with T_C=80 K is hole mediated resulting in Mn substituting In and is due to the bound magnetic polarons co-existing in the system. PL emission spectra of InMnAs samples grown at temperature of 275, 260 and 240 °C show that the interband transition peak centered at 1.31 eV coming from the InMnAs quantum dot blueshifts because of the strong confinement effects with increasing growth temperature.     

Ferromagnetic transition in GaAs/Mn/GaAs/In x Ga1 − x As/GaAs structures with a two-dimensional hole gas

The transport properties of GaAs/Mn/GaAs/In _x Ga_{1 ? x} As/GaAs structures with a layer that is separated from the quantum well and contains Mn impurities in the concentration range 4–10 at % corresponding to the reentrant metal-insulator transition observed in the bulk GaMnAs material [17] have been investigated. The hole mobility in the objects under investigation is more than two orders of magnitude higher than the known values for the GaMnAs semiconductor and GaMnAs-based magnetic heterostructures. This makes it possible to observe Shubnikov-de Haas oscillations, which confirm a two-dimensional character of the hole energy spectrum. The calculated Curie temperature for heterostructures with indirect exchange interaction through a two-dimensional hole channel is in good agreement with the position of the maximum (at 25–40 K) in the temperature dependences of the electrical resistance of the channel. This suggests that two-dimensional holes play an important role in ferromagnetic ordering of the Mn layer under these conditions. The observations of a negative spin-dependent magnetoresistance and an anomalous Hall effect, whose magnitude correlates well with the results of theoretical calculations for two-dimensional ferromagnetic systems based on III-Mn-V, also indicate a significant role of the two-dimensional channel in ferromagnetic ordering.     

Ferromagnetism in diluted magnetic semiconductor quantum dot arrays embedded in semiconductors

We present an Anderson-type model Hamiltonian with exchange coupling between the localized spins and the confined holes in the quantum dots to study the ferromagnetism in diluted magnetic semiconductor (DMS) quantum dot arrays embedded in semiconductors. The hybridization between the quantum-confined holes in the quantum dots and the itinerant holes in the semiconductor valence band makes possible hole transfer between the DMS quantum dots, which can induce the long range ferromagnetic order of the localized spins. In addition, it makes the carrier spins both in the quantum dots and in the semiconductors polarized. The spontaneous magnetization of the localized spins and the spin polarization of the holes are calculated using both the Weiss mean field approximation and the self-consistent spin wave approximation, which are developed for the present model.Received: 17 Mars 2003, Published online: 30 January 2004PACS: 75.75. + a Magnetic properties of nanostructures - 75.30.Ds Spin waves - 75.50.Dd Nonmetallic ferromagnetic materials - 75.50.Pp Magnetic semiconductors     

Zero temperature dynamics of Ising model on a densely connected small world network

The zero temperature quenching dynamics of the ferromagnetic Ising model on a densely connected small world network is studied where long range bonds are added randomly with a finite probability p. We find that in contrast to the sparsely connected networks and random graph, there is no freezing and an initial random configuration of the spins reaches the equilibrium configuration within a very few Monte Carlo time steps in the thermodynamic limit for any p ≠0. The residual energy and the number of spins flipped at any time shows an exponential relaxation to equilibrium. The persistence probability is also studied and it shows a saturation within a few time steps, the saturation value being 0.5 in the thermodynamic limit. These results are explained in the light of the topological properties of the network which is highly clustered and has a novel small world behaviour.     

All-electrical control of single ion spins in a semiconductor

We propose a method for all-electrical manipulation of single ion spins substituted into a semiconductor. Mn ions with a bound hole in GaAs form a natural example. Direct electrical manipulation of the ion spin is possible, because electric fields manipulate the orbital wave function of the hole, and through the spin-orbit coupling the spin is reoriented as well. Coupling ion spins can be achieved using gates to control the size of the hole wave function. Coherent manipulation of ionic spins may find applications in high-density storage and in scalable coherent or quantum information processing.     

低掺杂La1-xSrxMnO3结构相变对其电磁特性的影响

高温高压条件下，低掺杂的La_1-xSr_xMnO₃化合物发生从菱方相(R3c)到立方相的转变，该相变使其从低温时的绝缘态(极化子有序)转变为金属态.同时，随温度的降低，局域锰离子的自旋也从铁磁长程有序变成了只有短程序结构的自旋玻璃态.这种转变是由于相变引起的Mn—O—Mn键角及Mn—O键长的改变所引起. 关键词：     

Critical dynamics of models of the antiferromagnet Cr2O3

The critical dynamics of models of the real antiferromagnet Cr₂O₃ is investigated by the Monte Carlo method. The relaxation times of systems with N = 256, 500, 864, 2048, and 2916 spins are determined using the autocorrelation functions formalism. The values of the dynamic critical index z are calculated based on them.     

Optical manipulation of coupled spins in magnetic semiconductor systems: A path toward spin optoelectronics

Experimental results based on the optical excitations in the III–V-based ferromagnetic semiconductors are reviewed. On the bases of results obtained by both cw- and femto-second-pulse optical excitation, we point out the feasibility of magnetization rotation in the hole-mediated ferromagnetic semiconductor (Ga,Mn)As via the angular momentum and photon energy of light. Here, p–d exchange interaction is the effective channel that transmits a small change in spin axis of the valence band to the ferromagnetically coupled Mn spin sub-system. Within the limit of this picture, we also discuss a hole–Mn spin complex for which hole and Mn spins rotate and relax together upon optical excitation. Partial magnetization reversal observed in the experiments of the electrical current injection in (Ga,Mn)As-based magnetic-tunnel-junction devices is also reviewed in view of the effects caused by the spin-polarized holes. Here, we point out that a spin current of 10⁵ A/cm² may be reduced further if spin injection efficiency can be improved by the optimal designs of the device structure.     

强磁场下红宝石中光谱烧孔的模拟

用Monte Carlo方法模拟了强磁场下红宝石中的光谱烧孔过程.假设光学失相完全由晶格Al核自旋的随机跳变引起,并考虑到“冷冻核”效应,较好地解释实验结果.     

Short-Time Dynamics of the Three-Dimensional Ising Model with Competing Interactions

The critical relaxation from the low-temperature ordered state of the three-dimensional Ising model with competing interactions on a simple cubic lattice has been studied for the first time using the short-time dynamics method. Competition between exchange interactions is due to the ferromagnetic interaction between the nearest neighbors and the antiferromagnetic interaction between the next nearest neighbors. Particles containing 262144 spins with periodic boundary conditions have been studied. Calculations have been performed by the standard Metropolis Monte Carlo algorithm. The static critical exponents of the magnetization and correlation radius have been calculated. The dynamic critical exponent of the model under study has been calculated for the first time.