Ground-state Spin Configuration Research Articles

A Monte Carlo study of Magnetic and thermodynamic behaviors of L[formula omitted] structure like quadrangular frustum pyramid nanoisland

Based on the Monte Carlo simulation, research has been conducted on the magnetic and thermodynamic behaviors of a ferrimagnetic mixed-spin (5/2, 1/2) L10 nanoisland with a like quadrangular frustum pyramid structure. We studied the effects of the magneto-crystal anisotropy and exchange coupling on the magnetization, susceptibility, internal energy, and hysteresis loops. The ferrimagnetic system exhibits more abundant magnetic and thermodynamic behavior than the cubic L10 nanoisland. We found eight saturation values of magnetization, five-loop hysteresis loops, and abrupt transitions in the low-temperature region. In addition, the exchange coupling effect of ferrimagnetism also promotes magnetic properties. Interestingly, in this system, the ferromagnetic exchange coupling (Jaa) and external magnetic field (h) linearly depend on the blocking temperature TB. The hysteresis loops of the system have more magnetization steps, which reflects that it has more ground state spin configurations.

Reentrant canonical spin-glass dynamics and tunable field-induced transitions in (GeMn)Co2O4 Kagomé lattice

We report on the reentrant canonical semi spin-glass characteristics and controllable field-induced transitions in distorted Kagomé symmetry of (GeMn)Co2O4. This B-site spinel exhibits complicated, yet interesting magnetic behaviour in which the longitudinal ferrimagnetic (FiM) order sets in below the Néel temperature T FN ∼ 77 K due to uneven moments of divalent Co (↑ 5.33 μ B) and tetravalent Mn (↓ 3.87 μ B) which coexists with transverse spin-glass state below 72.85 K. Such complicated magnetic behaviour is suggested to result from the competing anisotropic superexchange interactions (J AB/k B ∼ 4.3 K, J AA/k B ∼ −6.2 K and J BB/k B ∼ −3.3 K) between the cations, which is extracted following the Néel’s expression for the two-sublattice model of FiM. Dynamical susceptibility (χ ac (f, T)) and relaxation of thermoremanent magnetization, M TRM (t) data have been analysed by means of the empirical scaling-laws such as Vogel–Fulcher law and Power law of critical slowing down. Both of which reveal the reentrant spin-glass like character which evolves through a number of intermediate metastable states. The magnitude of Mydosh parameter (Ω ∼ 0.002), critical exponent zυ = (6.7 ± 0.07), spin relaxation time τ 0 = (2.33 ± 0.1) × 10−18 s, activation energy E a/k B = (69.8 ± 0.95) K and interparticle interaction strength (T 0 = 71.6 K) provide the experimental evidences for canonical spin-glass state below the spin freezing temperature T F = 72.85 K. The field dependence of T F obtained from χ ac (T) follows the irreversibility in terms of de Almeida–Thouless mean-field instability in which the magnitude of crossover scaling exponent Φ turns out to be ∼2.9 for the (Ge0.8Mn0.2)Co2O4. Isothermal magnetization plots reveal two field-induced transitions across 9.52 kOe (H SF1) and 45.6 kOe (H SF2) associated with the FiM domains and spin-flip transition, respectively. Analysis of the inverse paramagnetic susceptibility after subtracting the temperature independent diamagnetic term (=−3 × 10−3 emu mol−1 Oe−1) results in the effective magnetic moment = 7.654 μ B/f.u. This agrees well with the theoretically obtained = 7.58 μ B/f.u. resulting the cation distribution in support of the Hund’s ground state spin configuration and of Mn4+ and Co2+, respectively. The H–T phase diagram has been established by analysing all the parameters (T F(H), T FN(H), H SF1(T) and H SF2(T)) extracted from various magnetization measurements. This diagram enables clear differentiation among the different phases of the (GeMn)Co2O4 and also illustrates the demarcation between short-range and long-range ordered regions.

Three-Step Ordering of Classical Headless Spins Preferring Twists on Icositetrachoric Honeycomb, a Four-Dimensional Analog of the Triangular Lattice

Four-dimensional space-filling by regular icositetrachorons (24-cell) results in a rare example of highly symmetric tripartite lattices. Assuming the interaction preferring mutual twists, Monte Carlo simulations of classical headless spins on its sites yielded four phases: disordered, nematic (axially symmetric), threefold-symmetric, and biaxially disordered phases with decreasing temperature. The ordering behavior is discussed while comparing the behavior of the same model on the triangular lattice with/without external fields. The biaxial phase is compatible with the ground-state spin configurations with the absolute minimum of interaction without frustrations. The phase diagram covering a region of merely the nematic order is presented.

Tuning Surface‐Electron Spins on Fe3O4 (111) through Chemisorption of Carbon Monoxide

AbstractThe adsorption‐induced flip of electron spin at interfaces is an important but poorly understood phenomenon for magnetic devices, sensors, and heterogeneous catalysis, due to the difficulties in determining the surface spins at atomic resolution. We present an evolutionary magnetic order searching method that allows efficient identification of the ground state spin configuration of magnetic bulk and surfaces. Using this approach, we have discovered for the first time a set of adsorption‐induced near‐degenerate surface magnetic states on the Fe3O4 (111) surface. Molecular adsorption of CO causes a destabilization of the magnetic states of the clean surface leading to a set of near‐degenerate surface magnetic states at medium coverage, which causes an abrupt increase of the magnetic entropy on the surface. The empty 2π* orbital of CO, which could accommodate the back donation of the spin density in the Fe d orbitals, plays a key role for the CO adsorption‐induced spin transition.

Tuning Surface-Electron Spins on Fe3 O4 (111) through Chemisorption of Carbon Monoxide.

The adsorption-induced flip of electron spin at interfaces is an important but poorly understood phenomenon for magnetic devices, sensors, and heterogeneous catalysis, due to the difficulties in determining the surface spins at atomic resolution. We present an evolutionary magnetic order searching method that allows efficient identification of the ground state spin configuration of magnetic bulk and surfaces. Using this approach, we have discovered for the first time a set of adsorption-induced near-degenerate surface magnetic states on the Fe3 O4 (111) surface. Molecular adsorption of CO causes a destabilization of the magnetic states of the clean surface leading to a set of near-degenerate surface magnetic states at medium coverage, which causes an abrupt increase of the magnetic entropy on the surface. The empty 2π* orbital of CO, which could accommodate the back donation of the spin density in the Fe d orbitals, plays a key role for the CO adsorption-induced spin transition.

Hopfion dynamics in chiral magnets

Resonant spin dynamics of topological spin textures are correlated with their topological nature, which can be employed to understand this nature. In this study, we present resonant spin dynamics of three-dimensional topological spin texture, i.e., Neel and Bloch hopfions. Using micromagnetic simulations, we stabilize Bloch and Neel hopfions with bulk and interfacial Dzyaloshinskii–Moriya interaction, respectively. We identify the ground state spin configuration of both hopfions, effects of anisotropies, geometric confinements, and demagnetizing fields. To confirm topological nature, Hopf number is calculated for each spin texture. Then, we calculate the resonance frequencies and spin-wave modes of spin precessions under multiple magnetic fields. Unique resonance frequencies and specific magnetic field dependence can help to guide experimental studies to identify the three-dimensional topological spin texture of hopfions in functioning chiral magnets when imaging is not possible.

Substrate orientation dependent characteristics of half-metallic and metallic superlattices [La0.7Sr0.3MnO3/LaNiO3]10

We report a detailed study on the orientation dependent growth characteristics, electronic structure, transport, magnetic, and vibrational excitations in atomically flat interfaces of [La0.7Sr0.3MnO3/LaNiO3]10 superlattices (SLs) coherently grown on (001/011/111)-SrTiO3 substrates by the pulsed laser deposition technique. X-ray reflectometry confirms the periodic superlattice stacks from the Kiessig interference fringes and well-defined even interfaces between the nickelate and manganite layers. A complex local atomic environment across the interfaces was noticed, yet trivalent La, divalent Sr, and mixed valent Ni2+/3+ and Mn3+/4+ electronic states prevail at the core level with enhanced relative intensity ratio of the Mn ions in the superlattices grown on (111) oriented SrTiO3 substrates as compared to those grown on (001) and (011) oriented SrTiO3. The temperature (5≤T≤300K) dependence of electrical resistivity ρ(T) analysis reveals 3D variable range hopping model [ρ(T)=ρ0exp⁡(T0/T)(1/4)] with large magnitude of hopping energies (≥40 meV) for the SL-111 system associated with the high energy gap developed by the accumulation of disorderness in the individual constituents of polar layers. Moreover, all SL systems exhibit reduced ferromagnetic ordering temperatures (67≤TC≤110K) with a low-temperature anomaly (11.4≤T∗≤22K) and a substantial enhancement in the effective exchange interaction (Jeff∼3.52meV) having altered ground state-spin configuration S∼1/2 different from S=3/2 of La0.75Sr0.25MnO3. Nevertheless, the SL-011 system exhibits large anisotropy field HK∼18kOe and cubic anisotropy constant K1∼9.3×103J/m3 in comparison to the other two orientations. The second order two-phonon interaction driven by the local polaronic distortion causes significant changes in the vibrational excitations of the investigated system. Nonetheless, most of the Raman modes follow the substrate-induced, highly oriented epitaxial growth pattern except for two modes ν4 (326cm−1) and ν8 (728cm−1), which slightly differ in the case of SL-111 superlattices.

Complex magnetic structure and spin waves of the noncollinear antiferromagnet Mn5Si3

The investigations of the interconnection between micro- and macroscopic properties of materials hosting noncollinear antiferromagnetic ground states are challenging. These forefront studies are crucial for unraveling the underlying mechanisms at play, which may prove beneficial in designing cutting edge multifunctional materials for future applications. In this context, Mn5Si3 has regained scientific interest since it displays an unusual and complex ground state, which is considered to be the origin of the anomalous transport and thermodynamic properties that it exhibits. Here, we report the magnetic exchange couplings of the noncollinear antiferromagnetic phase of Mn5Si3 using inelastic neutron scattering measurements and density functional theory calculations. We determine the ground-state spin configuration and compute its magnon dispersion relations which are in good agreement with the ones obtained experimentally. Furthermore, we investigate the evolution of the spin texture under the application of an external magnetic field to demonstrate theoretically the multiple field-induced phase transitions that Mn5Si3 undergoes. Finally, we model the stability of some of the material's magnetic moments under a magnetic field and we find that very susceptible magnetic moments in a frustrated arrangement can be tuned by the field.

Solving the Max-3-Cut Problem with Coherent Networks

Many computational problems are intractable through classical computing and, as Moore's law is drawing to a halt, demand for finding alternative methods in tackling these problems is growing. Here, we realize a liquid light machine for the NP-hard max-3-cut problem based on a network of synchronized exciton-polariton condensates. We overcome the binary limitation of the decision variables in Ising machines using the continuous-phase degrees of freedom of a coherent network of polariton condensates. The condensate network dynamical transients provide optically-fast annealing of the XY Hamiltonian. We apply the Goemans and Williamson random hyperplane technique, discretizing the XY ground state spin configuration to serve as ternary decision variables for an approximate optimal solution to the max-3-cut problem. Applications of the presented coherent network are investigated in image-segmentation tasks and in circuit design.

STABILITY OF SKYRMIONS IN THE FRUSTRATED ANTIFERROMAGNETIC/FERROELECTRIC BILAYERS WITH THE TRIANGULAR LATTICE

The formation and conditions of stability of a skyrmions at the interface between a ferroelectric layer and antiferromagnetic layer with triangilar lattice and its phase transition are studied. All interactions between spins and polarizations are limited to nearest neighbors (NN). The antiferromagnetic exchange interaction among the spins inside antiferromagnetic layer will compete with the perpendicular interface interaction between adjacent layers. The ground state spin configuration at zero temperature is calculated by using the numerical high performance steepest descent method. The resulting configuration is non-collinear. Small values of external field yields small values of angles between spins in the plane so that the ground state configurations have antiferromagnetic and non collinear domains. We observe the creation of single spin vortices. We noted that for zero applied magnetic field the skyrmions in the antiferromagnetic/ferroelectric bilayers with triangular lattice can be created in the region of interface magnetoelectric interaction value between 0.85 and 1.95. The strong external magnetic field applied perpendicular to the interface with non-collinear Dzyaloshinskiy-Morya-like magnetoelectric interaction at the interface leads to remove the skyrmion phase and magnetic phase transitions. With increasing the interface magnetoelectric coupling, the skyrmion lattice disappear. We found the formation perfect skyrmion structure at non-zero external magnetic field and moderate values of magnetoelectric interaction. The skyrmions structure is stable in a large region of the interface magnetoelectric interaction between antiferromagnetic and ferroelectric films. The results of Monte Carlo simulations that we carried out confirm that observed skyrmions are stable up to a finite temperature.

Enhancement of superconducting correlations by spin ordering in the spin-one-half Falicov-Kimball model with Hund and Hubbard coupling: Quantum Monte-Carlo study

Projector Quantum-Monte-Carlo method is used to examine effects of spin ordering on superconducting correlations in the two dimensional spin-one-half Falicov-Kimball model with Hund and Hubbard coupling. At first, the ground state spin configurations of the model are determined for a wide range of model parameters like the d -electron filling N d , the Hund coupling J z , the Hubbard coupling U , and then the average vertex correlation functions, as a measure of the superconducting correlations in these ground states, are calculated. It is found that the presence of the fully or partially developed antiferromagnetic spin ordering in the ground state dramatically enhances superconducting correlations in the d -wave channel, while the ferromagnetic spin substructures in the form of parallel/antiparallel domains, bands or lines superconducting correlations strongly suppress.

Degenerate manifolds, helimagnets, and multi- Q chiral phases in the classical Heisenberg antiferromagnet on the face-centered-cubic lattice

We present a detailed study of the ground state phase diagram of the classical frustrated Heisenberg model on the face-centered-cubic lattice. By considering exchange interactions up till third nearest neighbors, we find commensurate, helimagnetic, as well as noncollinear multi-{\bf Q} orders which include noncoplanar and chiral spin structures. We reveal the presence of subextensively degenerate manifolds that appear at triple points and certain phase boundaries in the phase diagram. Within these manifolds, the spin Hamiltonian can be recast as a complete square of spins on finite motifs, permitting us to identify families of exact ground state spin configurations in real space -- these include randomly stacked ferro- or antiferromagnetically ordered planes and interacting ferromagnetic chains, among others. Finally, we critically investigate the ramifications of our findings on the example of the Ising model, where we exactly enumerate all the states numerically for finite clusters.

Theoretical Investigations of Electronic Structure and Magnetic and Optical Properties of Transition-Metal Dinuclear Molecules.

In this work, we have reported the electronic structure, spin state, and optical properties of a new class of transition-metal (TM) dinuclear molecules (TM = Cr, Mn, Fe, Co, and Ni). The stability of these molecules has been analyzed from the vibration spectra obtained by using density functional theory (DFT) calculations. The ground-state spin configuration of the tetra-coordinated TM atom in each molecule has been predicted from the relative total energy differences in different spin states of the molecule. The DFT + U method has been used to investigate the precise ground-state spin configuration of each molecule. We further performed time-dependent DFT calculations to study the optical properties of these molecules. The planar geometric structure remains intact in most of the cases; hence, these molecules are expected to be well adsorbed and self-assembled on metal substrates. In addition, the optical characterization of these molecules indicates that the absorption spectra have a large peak in the blue-light wavelength range; therefore, it could be suitable for advanced optoelectronic device applications. Our work promotes further computational and experimental studies on TM dinuclear molecules in the field of molecular spintronics and optoelectronics.

Skyrmions and Spin Waves in Magneto-Ferroelectric Superlattices.

We present in this paper the effects of Dzyaloshinskii–Moriya (DM) magneto–electric coupling between ferroelectric and magnetic interface atomic layers in a superlattice formed by alternate magnetic and ferroelectric films. We consider two cases: magnetic and ferroelectric films have the simple cubic lattice and the triangular lattice. In the two cases, magnetic films have Heisenberg spins interacting with each other via an exchange J and a DM interaction with the ferroelectric interface. The electrical polarizations of are assumed for the ferroelectric films. We determine the ground-state (GS) spin configuration in the magnetic film and study the phase transition in each case. In the simple cubic lattice case, in zero field, the GS is periodically non collinear (helical structure) and in an applied field perpendicular to the layers, it shows the existence of skyrmions at the interface. Using the Green’s function method we study the spin waves (SW) excited in a monolayer and also in a bilayer sandwiched between ferroelectric films, in zero field. We show that the DM interaction strongly affects the long-wave length SW mode. We calculate also the magnetization at low temperatures. We use next Monte Carlo simulations to calculate various physical quantities at finite temperatures such as the critical temperature, the layer magnetization and the layer polarization, as functions of the magneto–electric DM coupling and the applied magnetic field. Phase transition to the disordered phase is studied. In the case of the triangular lattice, we show the formation of skyrmions even in zero field and a skyrmion crystal in an applied field when the interface coupling between the ferroelectric film and the ferromagnetic film is rather strong. The skyrmion crystal is stable in a large region of the external magnetic field. The phase transition is studied.

Accelerating recurrent Ising machines in photonic integrated circuits

Conventional computing architectures have no known efficient algorithms for combinatorial optimization tasks such as the Ising problem, which requires finding the ground state spin configuration of an arbitrary Ising graph. Physical Ising machines have recently been developed as an alternative to conventional exact and heuristic solvers; however, these machines typically suffer from decreased ground state convergence probability or universality for high edge-density graphs or arbitrary graph weights, respectively. We experimentally demonstrate a proof-of-principle integrated nanophotonic recurrent Ising sampler (INPRIS), using a hybrid scheme combining electronics and silicon-on-insulator photonics, that is capable of converging to the ground state of various four-spin graphs with high probability. The INPRIS results indicate that noise may be used as a resource to speed up the ground state search and to explore larger regions of the phase space, thus allowing one to probe noise-dependent physical observables. Since the recurrent photonic transformation that our machine imparts is a fixed function of the graph problem and therefore compatible with optoelectronic architectures that support GHz clock rates (such as passive or non-volatile photonic circuits that do not require reprogramming at each iteration), this work suggests the potential for future systems that could achieve orders-of-magnitude speedups in exploring the solution space of combinatorially hard problems.

Quantum Dots in an InSb Two-Dimensional Electron Gas

Indium antimonide (InSb) two-dimensional electron gases (2DEGs) have a unique combination of material properties: high electron mobility, strong spin-orbit interaction, large Land\'{e} g-factor, and small effective mass. This makes them an attractive platform to explore a variety of mesoscopic phenomena ranging from spintronics to topological superconductivity. However, there exist limited studies of quantum confined systems in these 2DEGs, often attributed to charge instabilities and gate drifts. We overcome this by removing the $\delta$-doping layer from the heterostructure, and induce carriers electrostatically. This allows us to perform the first detailed study of stable gate-defined quantum dots in InSb 2DEGs. We demonstrate two distinct strategies for carrier confinement and study the charge stability of the dots. The small effective mass results in a relatively large single particle spacing, allowing for the observation of an even-odd variation in the addition energy. By tracking the Coulomb oscillations in a parallel magnetic field we determine the ground state spin configuration and show that the large g-factor ($\sim$30) results in a singlet-triplet transition at magnetic fields as low as 0.3 T.

Skyrmions and Phase Transitions in Ferromagnetic/Ferroelectric Superlattices With Triangular Lattice

This letter studies the formation of a skyrmion crystal with a noncollinear magneto-electric interaction at the interface between a ferroelectric layer and a magnetic layer with triangular lattice in a ferromagnetic/ferroelectric superlattice and its phase transition. The ground-state spin configuration is calculated by using the steepest descent method. We noted that for zero applied magnetic field, the skyrmions in a ferromagnetic/ferroelectric superlattice with triangular lattice are created in three-dimensional space close to the interface region for strong magneto-electric interaction values. The strong magneto-electric interaction at the interface suppresses the magnetic phase transition. In an applied magnetic field, we found the formation of perfect skyrmion lattice at the interface for strong-enough values of magneto-electric interaction. The skyrmion crystal is stable in a large region of the external magnetic field.

Crystal fields and magnetic structure of the Ising antiferromagnet Er3Ga5O12

Rare earth garnets are an exciting playground for studying the exotic magnetic properties of the frustrated hyperkagome lattice. Here we present a comprehensive study of the single ion and collective magnetic properties of the garnet Er$_3$Ga$_5$O$_{12}$. Using inelastic neutron scattering, we find a crystal field ground state doublet for Er$^{3+}$ with strong Ising anisotropy along local [100] axes. Magnetic susceptibility and heat capacity measurements provide evidence for long-range magnetic ordering with $T_N$~$=$~0.8~K, and no evidence for residual entropy is found when cooling through the ordering transition. Neutron powder diffraction reveals that the ground state spin configuration corresponds to the six-sublattice, Ising antiferromagnetic state ($\Gamma_3$) common to many of the rare earth garnets. However, we also found that $\mu$SR appears to be insensitive to the ordering transition in this material, in which a low-temperature relaxation plateau was observed with no evidence of spontaneous muon precession. The combined muon and neutron results may be indicative of a dynamical ground state with a relatively long correlation time. Despite this potential complication, our work indicates that Er$_3$Ga$_5$O$_{12}$ is an excellent model system for studying the complex metamagnetism expected for a multi-axis antiferromagnet.

Dzyaloshinskii-Moriya interaction in magnetoferroelectric superlattices: Spin waves and skyrmions

We study in this paper effects of Dzyaloshinskii-Moriya (DM) magnetoelectric coupling between ferroelectric and magnetic layers in a superlattice formed by alternate magnetic and ferroelectric films.Magnetic films are films of simple cubic lattice with Heisenberg spins interacting with each other via an exchange $J$ and a DM interaction with the ferroelectric interface. Electrical polarizations of $\pm{1}$ are assigned at simple cubic lattice sites in the ferroelectric films.We determine the ground-state (GS) spin configuration in the magnetic film. In zero field, the GS is periodically non collinear and in an applied field $\mathbf H$ perpendicular to the layers, it shows the existence of skyrmions at the interface. Using the Green's function method we study the spin waves (SW) excited in a monolayer and also in a bilayer sandwiched between ferroelectric films, in zero field. We show that the DM interaction strongly affects the long-wave length SW mode. We calculate also the magnetization at low temperature $T$. We use next Monte Carlo simulations to calculate various physical quantities at finite temperatures such as the critical temperature, the layer magnetization and the layer polarization, as functions of the magnetoelectric DM coupling and the applied magnetic field.Phase transition to the disordered phase is studied in detail.

Spirit : Multifunctional framework for atomistic spin simulations

The \textit{Spirit} framework is designed for atomic scale spin simulations of magnetic systems of arbitrary geometry and magnetic structure, providing a graphical user interface with powerful visualizations and an easy to use scripting interface. An extended Heisenberg type spin-lattice Hamiltonian including competing exchange interactions between neighbors at arbitrary distance, higher-order exchange, Dzyaloshinskii-Moriya and dipole-dipole interactions is used to describe the energetics of a system of classical spins localised at atom positions. A variety of common simulations methods are implemented including Monte Carlo and various time evolution algorithms based on the Landau-Lifshitz-Gilbert equation of motion, which can be used to determine static ground state and metastable spin configurations, sample equilibrium and finite temperature thermodynamical properties of magnetic materials and nanostructures or calculate dynamical trajectories including spin torques induced by stochastic temperature or electric current. Methods for finding the mechanism and rate of thermally assisted transitions include the geodesic nudged elastic band method, which can be applied when both initial and final states are specified, and the minimum mode following method when only the initial state is given. The lifetime of magnetic states and rate of transitions can be evaluated within the harmonic approximation of transition-state theory. The framework offers performant CPU and GPU parallelizations. All methods are verified and applications to several systems, such as vortices, domain walls, skyrmions and bobbers are described.