First-principles calculations of magnetic and electronic structures around surfaces and interfaces of magnetic multi-layered structure

Electronic and magnetic structures of ferromagnetic (FM)/non-magnetic (NM) and FM/antiferromagnetic (AF) bi-layer systems are calculated by the first principles approach. For the FM/NM system, we focus on the Co/Cu multi-layered structure whose interfacial layer is assumed to have a mixed composition of Co and Cu atoms, and show a possibility that Co atoms at the interface play a significant role as the spin-dependent scattering potentials. In the FM/AF system, we consider Fe or Co monolayer as FM layer and MnNi as AF layers. It is predicted that the Mn moments adjacent to FM layer are forced to align the FM moments, and those of under layer go gradually to anti-parallel alignment as in the bulk MnNi.     

Magnetic polarons in Ca1−xYxMnO3

Experimental evidence shows that in the magnetoresistive manganite Ca_1−xY_xMnO₃, ferromagnetic (FM) polarons arises in an antiferromagnetic (AF) background, as a result of the doping with yttrium. This hypothesis is supported in this work by classical Monte Carlo calculations performed on a model where FM double exchange and AF superexchange compete.     

Simulation of Temperature-Dependent Resistivity for Manganite La1/3Ca2/3MnO3

The resistivity of the heavy-doped La1/3Ca2/3MnO3 （LCMO） is simulated using a random resistor network model, based on a phase separation scenario. The simulated results agree well with the reported experimental data, showing a transition from a charge-disordered （CDO） state embedded with a few ferromagnetic （FM） metallic clusters to a charge-ordered （CO） state, corresponding to the transition from a high-temperature paramagnetic （PM） insulating state to a low-temperature antiferromagnetic （AF） insulating state. Furthermore, we find that the number of AF/CO clusters increases with decreasing temperature, and the clusters start to connect to each other around 250K, which causes percolating in the system. The results further verify that phase separation plays a crucial role in the electrical conductivity of LCMO.     

Magnetic state of the bulk, surface and nanoclusters of CaMnO3: A DFT study

The electronic structures of bulk, 2D slabs and clusters of CaMnO₃ in various magnetic configurations are presented. The obtained results including optimized cell constant, band-gap, Mn magnetic moment, on-site Coulomb repulsion potential and p-d charge separation potential are in good agreement with experiment data. The energetically most preferable configuration was an insulating charge-transfer ground state with G-type antiferromagnetic (AF) configuration (classified according to Wollan and Koehler, Phys. Rev. 100 (1955) 545). For the finite 2D layers the C-type AF ground state was found to be most stable. The surface effect on magnetism of finite quasi 2D systems appeared to originate in the pyramidal field splitting of Mn 3d levels, which induced the formation of ferromagnetic (FM) regions within the AF matrix and the extension of FM correlation deep through 7 subsurface layers (2.7 nm from the surface). All finite systems (clusters and slabs) were found non-conducting due to the localization of electrons and the cancellation of surface excess carriers (holes) after surface relaxation, although the band-gaps of 2D systems were sufficiently reduced in comparison with that of the bulk.     

Modeling of magnetization processes in exchange coupled fluoride bilayers

The angular dependence of the hysteresis loops of ferromagnetic/antiferromagnetic (FM/AF) bilayer with a compensated interface is investigated by means of numerical simulation for a perfect single-crystalline AF layer having no AF domains at the FM/AF interface, as well as for a twinned AF layer. For applied magnetic field direction nearly parallel to the AF easy axis the completely reversible loops with finite exchange bias field have been obtained for the uniform case, while a large exchange bias has been found for the twinned case, in agreement with experimental results.     

Magnetic properties on Chern insulator of checkerboard lattice with topological flat band

By means of the mean-field method and the random phase approximation, we study the magnetic properties of the correlated Chern insulator on a checkerboard lattice with topological flat band. The antiferromagnetic (AF) order is found to be more stable than the ferromagnetic (FM) order at half filling. While at quarter filling, the system becomes a FM-Chern insulator induced by the FM order. The phase diagram is more complex for other fillings. FM order is more stable than AF order for small doping due to the flatness of band structure, while FM and AF orders compete at large doping.     

On the field dependence of the interface energy in AF/FM bilayers

In the investigations of antiferromagnetic (AF)/ferromagnetic (FM) bilayer samples, often distinct experimental techniques yield different values for the measured exchange anisotropy field (H_E). We propose that the observed discrepancy may be accounted in part by the dependence of the unidirectional anisotropy with the value of the externally applied cooling field (h). Using a simple microscopic model for representing the AF/FM interface, which incorporates the effect of interface roughness, we show that the interface energy between the AF and FM layer indeed varies with h, as recently observed in anisotropic magnetoresistance measurements, lending support to our proposal.     

A polycrystalline model for magnetic exchange bias

This work introduces a realistic model for the magnetic behavior of polycrystalline ferromagnet/antiferromagnet (FM/AF) systems with granular interfaces. It considers that, for strong enough interface exchange coupling, the AF layer breaks the adjacent FM into small-sized domains and that at the interface there exist grains with uncompensated spins interacting with the FM magnetizations; the classification of these grains as unstable (rotatable, responsible for a coercivity enhancement) or stable (adding to the bias) depends on both the anisotropy and the magnetic coupling with the adjacent FM. The distinctive characteristic of the model is that the effective rotatable anisotropy changes when the external magnetic field is varied resulting in a non-zero hard-axis coercivity, a feature commonly observed, though little understood and often ignored. The applicability of this model was checked on a typical magnetron-sputtered IrMn/Co bilayer and excellent agreement between experiment and simulation was achieved.     

Extracting uniaxial anisotropy of ferromagnetic layer in exchange-biased system

Effective anisotropy of the ferromagnetic pinned layer of ferro(FM)-antiferromagnetic (AF)-coupled NiFe(FM)/FeMn(AF) exchange-biased system was investigated in a broad frequency range (100 MHz-5 GHz) using a complex permeability spectrum. The exchange bias and effective uniaxial anisotropy fields of the thin film have been computed theoretically using the Landau-Lifschitz-Gilbert (LLG) equation. From the measurements, uniaxial anisotropy of the pinned FM layer has been extracted to understand the nature of the exchange bias in the system. It is found that the uniaxial anisotropy field of NiFe layer when exchange biased with the AF layer increases from 5 to 15 Oe at different external magnetic fields.     

Phase diagram of tetragonal manganites

The phase diagram of La1-xSrxMnO3, as a function of hole doping x and tetragonal distortion c/a, which consists of ferromagnetic (FM), A-, C-, and G-type antiferromagnetic (AF) states, is obtained by the first-principles band structure calculations. Effects of tetragonal distortion on the magnetic ordering are discussed in terms of orbital ordering and anisotropy in the hopping integrals. The general sequence of the magnetic ground states, FM --> A-AF --> C-AF --> G-AF with increasing of x, is also explained based on the instability of FM states with respect to the spin-wave excitations.     

Asymmetric reversal in inhomogeneous magnetic heterostructures

Asymmetric magnetization reversal is an unusual phenomenon in antiferromagnet/ferromagnet (AF/FM) exchange biased bilayers. We investigated this phenomenon in a simple model system experimentally and by simulation assuming inhomogeneously distributed interfacial AF moments. The results suggest that the observed asymmetry originates from the intrinsic broken symmetry of the system, which results in local incomplete domain walls parallel to the interface in reversal to negative saturation of the FM. The magneto-optical Kerr effect unambiguously confirms such an asymmetric reversal and a depth-dependent FM domain wall in accord with the magnetometry and simulations.     

The stability of the ferromagnetic state in La(Fe0.86Al0.14)13 under high pressure

The ferromagnetic (FM) La(Fe_0.86Al_0.14)₁₃ Invar alloy displays a pressure-induced FM to antiferromagnetic (AF) phase transition at a pressure as low as p⪅0.1 GPa. A quantitative analysis of the results shows that the FM → AF magnetic phase transition recently observed in La(Fe_xAl_1−x)₁₃ at ambient pressure is governed by the decrease of the unit cell volume rather than the increase of the number of Fe nearest neighbor atoms.     

Exchange bias mechanism in FM/FM/AF spin valve systems in the presence of random unidirectional anisotropy field at the AF interface: The role played by the interface roughness due to randomness

We propose an atomistic model and present Monte Carlo simulation results regarding the influence of FM/AF interface structure on the hysteresis mechanism and exchange bias behavior for a spin valve type FM/FM/AF magnetic junction. We simulate perfectly flat and roughened interface structures both with uncompensated interfacial AF moments. In order to simulate rough interface effect, we introduce the concept of random exchange anisotropy field induced at the interface, and acting on the interface AF spins. Our results yield that different types of the random field distributions of anisotropy field may lead to different behavior of exchange bias.     

Structure and magnetic properties of Fe/Fe oxide clusters

Fe clusters have been synthesised in ultra-high-vacuum chamber using a gas-stabilized cluster aggregation method that ensures good control of the cluster size and naturally oxidized in order to obtain Fe/Fe oxide core-shell nanoparticles. The morphology of an individual nanoparticle, as revealed by transmission electron microscopy, consists of a Fe core of an average diameter of 4.4 nm surrounded by an oxide shell of uniform thickness of about 1.2 nm in average. The nanoparticles may be assimilated with a ferro-/antiferromagnetic (FM/AF) system. The morpho-structural features have been correlated with magnetic measurements on the core-shell nanoparticles. A significant exchange bias effect has been measured, when the sample was field-cooled under an applied field of 3 T. As the morphology of core-shell nanoclusters is much more complicated than in FM/AF bilayers of regular thickness due to the particular geometry of the coronal AF layer, the shape and surface anisotropy have to be taken into account for a correct interpretation of the magnetic data.     

Interface biquadratic coupling and magnon scattering in exchange-biased ferromagnetic thin films grown on epitaxial FeF2

The magnetic anisotropy of ferromagnetic (FM) Ni, Co, and Fe polycrystalline thin films grown on antiferromagnetic (AF) FeF(2)(110) epitaxial layers was studied, as a function of temperature, using ferromagnetic resonance. In addition to an in-plane anisotropy in the FM induced by fluctuations in the AF short-range order, a perpendicular (biquadratic) magnetic anisotropy, with an out-of-plane component, was found which increased with decreasing temperature above the AF Neél temperature (T(N) = 78.4 K). This is a surprising result given that the AF's uniaxial anisotropy axis was in the plane of the sample, but is consistent with prior experimental and theoretical work. The resonance linewidth had a strong dependence on the direction of the external magnetic field with respect to in-plane FeF(2) crystallographic directions, consistent with interface magnon scattering due to defect-induced demagnetizing fields. Below T(N), the exchange bias field H(E) measured via FMR for the Ni sample was in good agreement with H(E) determined from magnetization measurements if the perpendicular out-of-plane anisotropy was taken into account. A low field resonance line normally observed at H ≈ 0, associated with domain formation during magnetization in ferromagnets, coincided with the exchange bias field for T < T(N), indicating domain formation with the in-plane FM magnetization perpendicular to the AF easy axis. Thus, biquadratic FM-AF coupling is important at temperatures below and above T(N).     

Magnetostriction and magnetization measurements on a DyNi2B2C single crystal in a magnetic field

In order to investigate the interactions between lattice properties, magnetic ordering and superconductivity of DyNi₂B₂C, thermal expansion, magnetostriction and magnetization measurements were performed for T=2–15 K and for μ₀H=0–3 T on a single crystal in the crystallographic [1 1 0] direction. A magnetic phase diagram is derived that shows two phases (AF1 and AF2) in the narrow region between the zero-field antiferromagnetic AF and the induced ferromagnetic state FM. Moreover, it is characterized by a large-field hysteresis. This behaviour can be described by a two domain magnetic state. The metamagnetic structure AF1 with about a quarter of the saturated magnetization is responsible for suppressing the superconductivity in DyNi₂B₂C because of its ferromagnetic component.     

Parallel versus antiparallel interfacial coupling in exchange biased Co/FeF2

By using the surface and element specificity of soft x-ray magnetic dichroism we provide direct experimental evidence for two different types of interfacial uncompensated Fe moments in exchange biased Co/FeF2 bilayers. Some moments are pinned and coupled antiparallel to the ferromagnet (FM). They give rise to a positive exchange bias and vanish above T(N) = 78 together with the antiferromagnet (AF) order. Other interfacial Fe moments are unpinned and coupled parallel to the FM. They persist up to 300 K and give rise to magnetic order at the AF surface even above T(N) .     

交换偏置双层膜中的反铁磁自旋结构及其交换各向异性

研究了交换偏置双层膜中界面存在二次以及双二次交换耦合下反铁磁磁矩转动及其交换各向异性.结果表明，其反铁磁膜中的磁矩转动存在可逆“恢复行为”、不可逆“半转动行为”、不可逆“倒转行为”以及不可逆“半倒转行为”四种情形，四种情形的出现强烈地依赖于界面二次、双二次耦合以及反铁磁膜厚度.其中可逆恢复行为情况下，系统出现交换偏置，而不可逆的半转、半倒转以及倒转情形，系统不出现交换偏置.特别地,在界面处仅存在双二次耦合的情形下，其界面双二次耦合常数J₂≤0.1 σ关键词： 反铁磁自旋结构 交换各向异性 界面双二次耦合 交换偏置     

Electrical resistivity and magnetic investigations of the orthorhombic Tb(Ni,Cu)2 system

The orthorhombic Tb(Ni, Cu)₂ and Gd(Ni, Cu)₂ systems (CeCu₂ structure) are closely similar according to electrical resistivity and magnetic results. The Tb(Ni_xCu_1?x)₂ system presents a transition from antiferromagnetism (AF) for x ? 8% Ni to ferromagnetism (FM) for x &#62; 8% Ni. The CeCu₂ structure becomes unstable for x &#62; 45% Ni. The AF samples show metamagnetism at 4.2 K with critical fields. Hysteresis, which occurs for all samples at 4.2 K, is attributed to intrinsic pinning due to large anisotropy where the mechanism for the AF range is analogous to intrinsic pinning of narrow domain walls in FM samples.Spin disorder resistivity measurements show a discontinuity at the AF-FM transition composition for both the Tb and Gd systems. This is due to a step up of the residual resistivity at 4.2 K as a result of AF ordering. This interpretation is confirmed by applying a magnetic field to destroy the AF ordering.     

Ising-type critical exponents of the fully frustrated spin-1/2 Heisenberg FM/AF square bilayer at a critical magnetic field

The fully frustrated spin-1/2 Heisenberg FM/AF square bilayer in a magnetic field with the ferromagnetic inter-dimer interaction and the antiferromagnetic intra-dimer interaction is explored by the use of localized many-magnon approach, which allows to connect the original purely quantum Heisenberg spin model on a square bilayer with the effective ferromagnetic Ising model on a simple square lattice. Magnetization and specific heat are investigated exactly at a field-driven phase transition from the singlet-dimer phase towards the fully saturated ferromagnetic phase, which changes from a discontinuous phase transition to a continuous one at a certain critical temperature. The mapping correspondence between the spin-1/2 Heisenberg FM/AF square bilayer and the ferromagnetic Ising square lattice suggests for this special critical point of the spin-1/2 Heisenberg FM/AF square bilayer critical exponents from the standard two-dimensional Ising universality class.