Magnetic Interaction Parameters Research Articles

Thermodynamic analog of integrate-and-fire neuronal networks by maximum entropy modelling

Recent results have evidenced that spontaneous brain activity signals are organized in bursts with scale free features and long-range spatio-temporal correlations. These observations have stimulated a theoretical interpretation of results inspired in critical phenomena. In particular, relying on maximum entropy arguments, certain aspects of time-averaged experimental neuronal data have been recently described using Ising-like models, allowing the study of neuronal networks under an analogous thermodynamical framework. This method has been so far applied to a variety of experimental datasets, but never to a biologically inspired neuronal network with short and long-term plasticity. Here, we apply for the first time the Maximum Entropy method to an Integrate-and-fire (IF) model that can be tuned at criticality, offering a controlled setting for a systematic study of criticality and finite-size effects in spontaneous neuronal activity, as opposed to experiments. We consider generalized Ising Hamiltonians whose local magnetic fields and interaction parameters are assigned according to the average activity of single neurons and correlation functions between neurons of the IF networks in the critical state. We show that these Hamiltonians exhibit a spin glass phase for low temperatures, having mostly negative intrinsic fields and a bimodal distribution of interaction constants that tends to become unimodal for larger networks. Results evidence that the magnetization and the response functions exhibit the expected singular behavior near the critical point. Furthermore, we also found that networks with higher percentage of inhibitory neurons lead to Ising-like systems with reduced thermal fluctuations. Finally, considering only neuronal pairs associated with the largest correlation functions allows the study of larger system sizes.

Exploration of the Magnetic Properties of ZrCo:Co Bilayer Films: Effects of the Thickness of the Co Layer on the Anisotropy and Magnetic Interaction Parameters

Exploration of the Magnetic Properties of ZrCo:Co Bilayer Films: Effects of the Thickness of the Co Layer on the Anisotropy and Magnetic Interaction Parameters

Collisions and dynamics of particles with magnetic dipole moment and electric charge near magnetized rotating Kerr black holes

Analysis of test magnetized and charged particles around black holes immersed in external magnetic fields may help to explain the observed astrophysical phenomena related to black holes, such as the acceleration of particles up to high energies. In this sense, we studied the circular motion of test-charged particles with magnetic dipole orbiting around magnetized rotating Kerr black holes. First, we derive the effective potential for the circular motion of such particles, including interactions between the external magnetic field and the electric charge, and the magnetic interaction between the magnetic dipole. In addition, we analyze the angular momentum and energy of particles corresponding to circular orbits. The effects of magnetic interaction and coupling parameters on the position of innermost stable circular orbits (ISCOs), the energy and angular momentum of the particles at ISCO, and the energy efficiency from the Novikov-Thorne accretion disc have been investigated. We also find cases of degeneracy between magnetic dipole interaction and magnetic coupling parameters, giving the same ISCO radius. Finally, we studied various cases of collisions of neutral, magnetized, and electrically charged particles near rotating Kerr black holes in the presence of external magnetic fields. The critical angular momentum of spinning charged particles is found in which the particles can collide. We also analyze the effects of both magnetic interactions on the center-of-mass energy of the colliding particles.

Charged particles motion and quasiperiodic oscillation in Simpson–Visser spacetime in the presence of external magnetic fields

The present work is devoted to the study of the dynamics of charged particles around Simpson–Visser black holes (with the length parameter lle 2) and wormholes (l>2) immersed in an external asymptotically uniform magnetic field. To do this, first, we solve the Maxwell equation for 4-potentials of the electromagnetic field and show that the difference between the numerical solution and Wald’s solution is small enough to neglect it, which may allow us to use the solution obtained by Wald. We also study fundamental frequencies of in the vertical and radial oscillations of charged particles around circular stable orbits around the magnetized black hole. The effects of the magnetic interaction and length parameters on the fundamental frequencies. We investigate the quasiperiodic oscillations (QPOs) around the black hole in relativistic precession and epicyclic resonance models. It is also shown that the combined effects of magnetic interaction for negatively charged particles and length parameters can mimic the spacetime effects of the Schwarzschild black hole compensating for their effects, as well as the spin of rotating Kerr black holes. The distance between an orbit where a QPO is generated with the ratio of upper and lower frequencies 3: 2 and innermost stable circular orbits is also studied. It is found that the QPO orbits are very close to ISCO in the RP model at l<2. This implies that the obtained result helps to determine the ISCO around black holes. We also study the applications of observed QPOs around stellar-mass black holes in microquasars and supermassive black holes.

Spinteract: a program to refine magnetic interactions to diffuse scattering data

Magnetic diffuse scattering—the broad magnetic scattering features observed in neutron-diffraction data above a material’s magnetic ordering temperature—provides a rich source of information about the material’s magnetic Hamiltonian. However, this information has often remained under-utilised due to a lack of available computer software that can fit values of magnetic interaction parameters to such data. Here, an open-source computer program, Spinteract, is presented, which enables straightforward refinement of magnetic interaction parameters to powder and single-crystal magnetic diffuse scattering data. The theory and implementation of this approach are summarised. Examples are presented of refinements to published experimental diffuse-scattering data sets for the canonical antiferromagnet MnO and the highly-frustrated classical spin liquid Gd3Ga5O12. Guidelines for data collection and refinement are outlined, and possible developments of the approach are discussed.

Raman spectroscopy of bimagnon and trimagnon excitations and rotonlike points in a distorted triangular lattice antiferromagnet

We investigate the experimental signatures of Raman spectroscopy of bi- and tri-magnon excitations in the distorted triangular lattice antiferromagnets alpha-LCr2O4 (L=Sr, Ca). We utilize spin wave theory to analyze the nearly 120 degree spin-3/2 spiral ordered antiferromagnetic ground state to compute the single-magnon density of states, single-magnon dispersion, and bimagnon and trimagnon Raman spectra (polarized and unpolarized). It is found that Raman scattering is capable of capturing the effect of the rotonlike M and M' points on the bimagnon Raman spectrum. Our calculation confirms the connection between single-magnon rotonlike excitation energy and bimagnon Raman excitation spectrum observed experimentally. The roton energy minimum in momentum space is half of the energy of a bimagnon excitation signal. The experimental magnetic Raman scattering result displays two peaks which have a Raman shift of 15 meV and 40 meV, respectively. Theoretical modeling and analysis of the experimental spectrum of alpha-SrCr2O4 within our distorted Heisenberg Hamiltonian lattice suggests that the low-energy peak at 15 meV is associated with the bimagnon excitation, whereas the high-energy peak around 40 meV is primarily a trimagnon excitation. Based on our fitting procedure we propose a new set of magnetic interaction parameters for alpha-SrCr2O4. These parameters reproduce not only the experimental Raman spectrum, but also the inelastic neutron scattering response (including capturing high energy magnon branches). We also compute the unpolarized bimagnon and trimagnon Raman spectra for alpha-CaCr2O4. Furhtermore, we found that the polarization sensitivity of Raman spectrum can be utilized to distinguish the bi- and tri-magnon excitation channels.

HOMOTOPY PERTURBATION ANALYSIS ON SHAPE EFFECT OF VASODILATORS DURING ARTERIAL FLOW

In this study, the homotopy perturbation method was employed to study the influence of the thermal and applied magnetic fields on the movement and efficiency of differently shaped nanoparticles. Extensive Hartmann number, nanoparticle shape factor, and nanofluid volume fraction values were used to investigate the influence of differently shaped nanoparticles in a flow-through diseased artery. To analyze the flow and heat conduction behavior of nanoparticles in an artery, the wall impedance and local Nusselt number values were evaluated using the homotopy perturbation method and the results were compared with existing results for the same case. The results of both approaches were compared graphically for the volume fraction and magnetic interaction parameters. In addition, a graph was plotted to compare the behavior of nanoparticles in both the Hamilton-Crosser and modified Hamilton-Crosser models.

Structure and Parameters of Magnetic Interactions in Nb4+ Impurity Centers in a BaF2 Crystal: ESR Data

Structure and Parameters of Magnetic Interactions in Nb4+ Impurity Centers in a BaF2 Crystal: ESR Data

Microscopic origin of magnetism in monolayer 3d transition metal dihalides

Motivated by the recent wealth of exotic magnetic phases emerging in two-dimensional frustrated lattices, we investigate the origin of possible magnetism in the monolayer family of triangular lattice materials $M{X}_{2}$ ($M$=V, Mn, Ni and $X$=Cl, Br, I). We first show that consideration of general properties such as filling and hybridization enables to formulate the trends for the most relevant magnetic interaction parameters. In particular, we observe that the effects of spin-orbit coupling (SOC) can be effectively tuned through the ligand elements as the considered $3d$ transition metal ions do not strongly contribute to the anisotropic component of the intersite exchange interaction. Consequently, we find that the corresponding SOC matrix elements differ significantly from the atomic limit. In the next step and by using two ab initio based complementary approaches, we extract realistic effective spin models and find that in the case of heavy ligand elements, SOC effects manifest in anisotropic exchange and single-ion anisotropy only for specific fillings.

Possible topological states in two dimensional Kagome ferromagnet MnGe

From first principles computation, we propose hexagonal MnGe as a ferromagnetic Kagome candidate. As for three dimensional (3D) MnGe, the nearest, next-nearest and next-next-nearest magnetic exchange interaction parameters are respectively estimated to be 0.4 meV, 7.8 meV and 1.8 meV within the Heisenberg model while the calculated Curie temperature Tc is approaching 115 K based on Monte Carlo (MC) simulation. As for two dimensional (2D) MnGe monolayer, the spin-orbit coupling (SOC) would bring in a tiny gap (~ 1.9 meV) at the Dirac nodes and quantum anomalous Hall (QAH) effect, characterized by the chiral edge states and nonzero Chern number (C = 1). Moreover, the Dirac points can be tuned to the fermi level EF by 1.5 electrons doping or 3.3% compressive biaxial strain. Besides, possible synthetic scheme as well as the mechanical, dynamical and thermal stability are confirmed for both bulk and monolayer MnGe. Thus our work provides a promising Kagome ferromagnet to study intriguing topological physics associated with Dirac fermions towards spintronics application.

Hydrogen-Bonded Complexes of Neutral Nitroxide Radicals with 2-Propanol Studied by Multifrequency EPR/ENDOR

The hydrogen bond plays a key role in weak directional intermolecular interactions. It is operative in determining molecular conformation and aggregation, and controls the function of many chemical systems, ranging from inorganic, organic to biological molecules. Although an enormous amount of spectroscopic information has been collected about hydrogen-bond formation between molecules with closed-shell electronic configuration, the details of such interactions between open-shell radicals and closed-shell molecules are still rare. Here we report on an investigation of hydrogen-bonded complexes between pyrroline-type as well as piperidine-type neutral nitroxide radicals and an alcohol, i.e., 2-propanol. These nitroxide radicals are commonly used as EPR spin labels and probes. To obtain information on the geometry of the complexes and their electronic structure, multi-resonance EPR techniques at various microwave frequencies (X-, Q-, W-band, 244 GHz) have been employed in conjunction with DFT calculations. The planar five-membered ring system of the pyrroline-type nitroxide radical was found to form exclusively well-defined in-plane σ-type hydrogen-bonded complexes with one 2-propanol molecule in the first solvation shell in frozen solution. The measured hyperfine parameters of the hydrogen-bridge proton and the internal magnetic parameters describing the electron Zeeman and the electron-nuclear hyperfine and nuclear quadrupole interactions are in good agreement with values predicted by state-of-the-art DFT calculations. In contrast, multi-resonance EPR on the non-planar six-membered ring system of the piperidine-type nitroxide radical (TEMPOL) reveals a more complex situation, i.e., a mixture of a σ-type with, presumably, an out-of-plane π-type complex, both present in comparable fraction in frozen solution. For TEMPOL, the DFT calculations failed to predict magnetic interaction parameters that are in good agreement with experiment, apparently due to the considerable flexibility of the nitroxide and hydrogen-bonded complex. The detailed information about nitroxide/solvent complexes is of particular importance for Dynamic Nuclear Polarization (DNP) and site-directed spin-labeling EPR studies that employ nitroxides as polarizing agents or spin labels, respectively.

Unraveling the magnetic softness in Fe-Ni-B-based nanocrystalline material by magnetic small-angle neutron scattering.

Magnetic small-angle neutron scattering is employed to investigate the magnetic interactions in (Fe0.7Ni0.3)86B14 alloy, a HiB-NANOPERM-type soft magnetic nanocrystalline material, which exhibits an ultrafine microstructure with an average grain size below 10 nm. The neutron data reveal a significant spin-misalignment scattering which is mainly related to the jump of the longitudinal magnetization at internal particle-matrix interfaces. The field dependence of the neutron data can be well described by micromagnetic small-angle neutron scattering theory. In particular, the theory explains the 'clover-leaf-type' angular anisotropy observed in the purely magnetic neutron scattering cross section. The presented neutron data analysis also provides access to the magnetic interaction parameters, such as the exchange-stiffness constant, which plays a crucial role towards the optimization of the magnetic softness of Fe-based nanocrystalline materials.

Metamagnetism of few-layer topological antiferromagnets

MnBi$_2$Te$_4$ (MBT) is a promising antiferromagnetic topological insulator whose films provide access to novel and technologically important topological phases, including quantum anomalous Hall states and axion insulators. MBT device behavior is expected to be sensitive to the various collinear and non-collinear magnetic phases that are accessible in applied magnetic fields. Here, we use classical Monte Carlo simulations and electronic structure models to calculate the ground state magnetic phase diagram as well as topological and optical properties for few layer films with thicknesses up to six septuple layers. Using magnetic interaction parameters appropriate for MBT, we find that it is possible to prepare a variety of different magnetic stacking sequences, some of which have sufficient symmetry to disallow non-reciprocal optical response and Hall transport coefficients. Other stacking arrangements do yield large Faraday and Kerr signals, even when the ground state Chern number vanishes.

Temperature-dependent renormalization of magnetic interactions by thermal, magnetic, and lattice disorder from first principles

We put forth an ab initio framework to calculate local moment magnetic interaction parameters, renormalized to treat both the lattice and magnetic systems as a function of temperature $T$. For bcc Fe, magnetic and lattice thermal disorders act in opposition, the former strengthening the Heisenberg-like interactions, while the latter decreasing them. Below ${T}_{C}$, $J$ stays nearly independent of $T$, while around and above ${T}_{C}$, it exhibits a sharp decrease. This remarkable behavior reflects an intricate spin-lattice coupling and its evolution with $T$, in which magnetic interactions and interatomic bonds are each renormalized by the other. This finding is consistent with magnetization data and with the observed softening of magnon and phonon modes at high temperatures. Magnetization as well as magnon and phonon mode softening are discussed.

TB2J: A python package for computing magnetic interaction parameters

We present TB2J, a Python package for the automatic computation of magnetic interactions, including exchange and Dzyaloshinskii–Moriya, between atoms of magnetic crystals from the results of density functional calculations. The program is based on the Green’s function method with the local rigid spin rotation treated as a perturbation. As input, the package uses the output of either Wannier90, which is interfaced with many density functional theory packages, or of codes based on localized orbitals. One of the main interests of the code is that it requires only one first-principles electronic structure calculation in the non-relativistic case (or three in the relativistic case) and from the primitive cell only to obtain the magnetic interactions up to long distances, instead of first-principles calculations of many different magnetic configurations and large supercells. The output of TB2J can be used directly for the adiabatic magnon band structure and spin dynamics calculations. A minimal user input is needed, which allows for easy integration into high-throughput workflows. Program summaryProgram Title: TB2JCPC Library link to program files:https://doi.org/10.17632/dm45fcn69d.1Developer’s repository link:https://github.com/mailhexu/TB2JCode Ocean capsule:https://codeocean.com/capsule/6486145Licensing provisions: BSD 2-clauseProgramming language: PythonNature of problem: TB2J is a package for the computing of parameters in the extended Heisenberg model of the magnetic interaction, including the isotropic exchange, anisotropic exchange and Dzyaloshinskii–Moriya interactions from first principles result. It can make use of the Wannier function Hamiltonian, which can be constructed from many first principles codes, or localized orbital based codes.Solution method: It uses the magnetic force theorem and takes the rigid spin rotation as a perturbation to the electronic structure. The energy variation is calculated from the Green’s functions from tight-binding like Hamiltonian based on Wannier functions or localized orbitals.Additional comments including restrictions and unusual features: Isotropic exchange, anisotropic exchange, and Dzyaloshinskii–Moriya interactions can all be computed with the input of many DFT codes through the interface of Wannier90, or directly from localized orbital codes. The magnetic interaction parameters up to any distance can be computed from one DFT calculation. A minimum user-input is required which provides a black-box like experience. It generates output for several spin dynamics codes and thus bridges the first principles electronic structure simulation with the large scale spin dynamics simulation.

Distinguishing magnetically and electrically charged Reissner\u2013Nordstr\xf6m black holes by magnetized particle motion

In the present paper, we investigate the dynamics of magnetized particles around magnetically and electrically Reissner–Nordström (RN) black hole. The main idea of the work is to distinguish the effects of electric and magnetic charges of the RN black hole and spin of the rotating Kerr black hole through the dynamics of the magnetized particles. In this study, we have treated a magnetized neutron star as a magnetized test particle, in particular, the magnetar SGR (PSR) J1745-2900 orbiting around the supermassive black hole Sagittarius A* (SMBH SgrA*) with the magnetic interaction parameter b=0.716 and the parameter beta =10.2. The comparison of the effects of the magnetic and electric charges, and magnetic interaction parameters on the dynamics of the magnetar modeled as a magnetized particle near the SMBH Sgr A* has shown that the magnetic charge of the RN black hole can mimic the spin parameter of a rotating Kerr black hole up to a/M simeq 0.82. The external magnetic field can mimic the magnetic charge of the RN black hole up to Q_m/M=0.4465. We have shown that the electric charge of the RN black hole can mimic the black hole magnetic charge up to Q_m/M=0.5482 and the magnetic field interaction with the magnetized particle acts against the increase of the mimicking value of the black hole spin parameter. The studies may be helpful to explain the observability of radio pulsars around the SMBH SgrA* system and taking it as a real astrophysical laboratory to get more precise constraints on the central black hole and dominated parameters of the alternate gravity. Finally, we have investigated the effects of magnetic and electric charge of the RN black hole in the center-of-mass energy of head-on collisions of magnetized particles with neutral, electrically charged, and magnetized particles. Both electric and magnetic charges of the RN black hole would lead to an increase in the center of the mass–energy of the collisions.

Effects of uniaxial pressure on the spin ice Ho2Ti2O7

The spin ice materials Ho2Ti2O7 and Dy2Ti2O7 are experimental and theoretical exemplars of highly frustrated magnetic materials. However, the effects of an applied uniaxial pressure are not well studied, and here we report magnetization measurements of Ho2Ti2O7 under uniaxial pressure applied in the [001], [111] and [110] crystalline directions. The basic features are captured by an extension of the dipolar spin ice model. We find a good match between our model and measurements with pressures applied along two of the three directions, and extend the framework to discuss the influence of crystal misalignment for the third direction. The parameters determined from the magnetization measurements reproduce neutron scattering measurements we perform under uniaxial pressure applied along the [110] crystalline direction. In the detailed analysis we include the recently verified susceptibility dependence of the demagnetizing factor. Our work demonstrates the application of a moderate applied pressure to modify the magnetic interaction parameters. The knowledge can be used to predict critical pressures needed to induce new phases and transitions in frustrated materials, and in the case of Ho2Ti2O7 we expect a transition to a ferromagnetic ground state for uniaxial pressures above 3.3 GPa.

A Synergy and Struggle of EPR, Magnetometry and NMR: A Case Study of Magnetic Interaction Parameters in a Six-Coordinate Cobalt(II) Complex.

Herein, we combine for the first time SQUID magnetometry, cw-EPR, THz-EPR, and paramagnetic NMR spectroscopies to study the magnetic properties of a high-spin cobalt(II) heteroscorpionate complex. Complementary information provided by these methods allowed precise determination of the magnetic interaction parameters, thereby removing the ambiguity inherit to single-method studies. We systematically investigate the extent to which information about the magnetic interaction parameters can be deduced from reduced data sets. The detailed study revealed significant different magnetic properties in solid state and solution. To further exploit the information content of the solution NMR experimental results, we introduce the new concept of reduced paramagnetic shift. It allows for the determination of the magnetic axes and, subsequently, full NMR signal assignment. It is shown that even in complicated cases, in which common NMR analytics (integral intensities, relaxation factors, etc.) fail, it yields robust results.

Multiple Magnetic Bilayers and Unconventional Criticality without Frustration in BaCuSi_{2}O_{6}.

The dimerized quantum magnet BaCuSi_{2}O_{6} was proposed as an example of "dimensional reduction" arising near the magnetic-field-induced quantum critical point (QCP) due to perfect geometrical frustration of its interbilayer interactions. We demonstrate by high-resolution neutron spectroscopy experiments that the effective intrabilayer interactions are ferromagnetic, thereby excluding frustration. We explain the apparent dimensional reduction by establishing the presence of three magnetically inequivalent bilayers, with ratios 3∶2∶1, whose differing interaction parameters create an extra field-temperature scaling regime near the QCP with a nontrivial but nonuniversal exponent. We demonstrate by detailed quantum MonteCarlo simulations that the magnetic interaction parameters we deduce can account for all the measured properties of BaCuSi_{2}O_{6}, opening the way to a quantitative understanding of nonuniversal scaling in any modulated layered system.

Effects of uniform radial electric field on the MHD and heat transfer due to a shrinking stretching rotating disk

Flow and heat transfer of an incompressible electrically conducting fluid on radially shrinking/stretching rotating disk in presence of uniform magnetic field are studied in the present paper. The problem is an extension of the well-known von Karman viscous pump problem to the configuration with a shrinkable/stretchable disk with or without rotation. Navier-Stokes equations, Maxwell equation and energy equation have been modied in presence of uniform radial electric field and magnetic field. The governing partial differential equations have been transformed into ordinary differential form by using similarity transformations. The system of equations generated by Navier-Stokes, Maxwell and energy equations has been solved by using Chebyshev collocation technique for varying values of radial electric, magnetic interaction parameters, Eckert and rotation numbers. Accuracy of the method is verified through comparing results in the literature. Effects of parameters in the governing equations are depicted graphically and are analyzed.