Surface magnetism and electronic structure of ultrathin fcc Fe films

Spin- and angle-resolved photoemission show that a very similar development of the electronic structure occurs in fcc Fe films grown on Co(100) and on Cu(100). On both substrates the electronic structure displays distinct changes as a function of the thickness which correlate with the magnetic properties of the film. The measurement of the photoelectron spin polarization demonstrates that the surface region of Fe films on Co(100) as well as on Cu(100) is magnetically alive at all thicknesses.     

Surface magnetism

The main lines of surface magnetism research before and after 1975 are reported. The overall changes of magnetic properties in surfaces and interfaces were investigated by a wide variety of experimental and theoretical techniques. A softened temperature dependence of magnetization, enhanced moments in clean surfaces, the existence of magnetic surface anisotropies and the sensitive dependence of magnetic surface properties on the structural and physicochemical state of the surface are now generally accepted.     

Surface magnetism of Fe(110) from polarized electron scattering

Exchange- and spin—orbit-induced scattering asymmetry spectra of polarized slow electrons from the ferromagnetic Fe(110) surface have been calculated by dynamical theory and found to agree with recent experimental data taken at room temperature. Comparison of exchange asymmetry spectra, obtained for various interaction and layer-dependent magnetization models, with the data implies firstly an enhancement of the surface magnetization by about 30% with respect to the bulk, and secondly the importance of spin-dependent localized inelastic electron—electron scattering processes.     

Surface orbital magnetism

We compute the surface correction to the density of states of a particle in a convex box subjected to a magnetic field. Applying these results to orbital magnetism, we find that at high temperatures or weak magnetic fields the surface magnetization is always paramagnetic, but oscillations appear at low temperatures. In two dimensions they can give very large paramagnetic contributions near integer values of the filling factor. Explicit formulas are given for the zero-field susceptibility and for samples with a cylindrical shape in arbitrary magnetic field.     

Structure and magnetism of Fe/MgO/Fe multilayered nanosystems

The dependences of the structural and magnetic properties of a nanoscale Fe/MgO/Fe planar system on the thickness of the dielectric MgO layer are reported. X-ray crystallographic analysis reveals a high-quality layered structure with abrupt interlayer boundaries and a continuous MgO-insulator layer. Fourth-order magnetocrystalline anisotropy is found in the synthesized structures. A new way to provide antiferromagnetic ordering in the nanostructure is proposed by applying a magnetic field to the investigated structure at an angle of 22° with respect to the easy magnetization axis. In this case, the antiferromagnetic ordering of magnetic moments is established in the field range of 20–50 Oe.     

Surface magnetism of Sc-substituted Ba-M hexaferrites

A technique of simultaneous gamma-ray, x-ray, and electron Mössbauer spectroscopy is used to study the magnetic structure of the surface layer with direct comparison to the magnetic structure inside single crystal samples of hexagonal Ba-M ferrites, in which part of the iron ions have been replaced by diamagnetic Sc ions (chemical formula BaFe_12?δ Sc_δO₉). It is found that when the diamagnetic Sc ions are introduced into the crystal lattice of BaFe_12?δ Sc_δO₁₉ at concentrations (x=0.4 and 0.6) far below the level at which the collinear magnetic structure inside the sample is destroyed, a macroscopic layer of thickness ～300 nm develops on the surface, in which the magnetic moments of the iron ions are oriented noncollinearly with respect to the moments inside the sample. The deviation 〈θ〉 of the magnetic moments in BaFe_11.6Sc_0.4O₁₉ was 10° ± 62° for x=0.4, and when the Sc concentration was raised to 0.6, the angle 〈θ〉 increased to 17° ± 62°. The noncollinear magnetic structure in the surface layer in these crystals develops because of further reduction in the energy of the exchange interactions owing to the presence of a “defect,” such as the surface. For the first time, therefore, an anisotropic surface layer whose magnetic properties differ from those in the interior of a sample has been observed experimentally in ferromagnetic crystals, as predicted by Néel [L. Néel, Phys. Radium. 15, 225 (1954)].     

Surface magnetism of nanocrystalline copper monoxide

The effect of the surface on the magnetic susceptibility of nanopowders of the CuO semiconducting antiferromagnet was studied. Single-phase nanopowders with nanoparticles 15, 45, and 60 nm in size were prepared through copper vapor condensation in an argon environment, with subsequent oxidation of the copper. The temperature dependences of the magnetic susceptibility of the nanopowders differ qualitatively from the χ (T) relations for bulk samples. In the region 80≤T≤600 K, the magnetic susceptibility of nanopowders is inversely proportional to temperature and is described by the sum of contributions due to the bulk part of CuO and to the Cu²⁺ paramagnetic ions localized in surface layers. The paramagnetic contribution to the total susceptibility is shown to increase with decreasing particle size and sample density. A comparison of the χ (T) relations is made for nanopowders and for a dense CuO nanoceramic with grain size 5≤d≤100 nm prepared using the shock wave technique.     

Room temperature magnetism of Fe doped CdS nanocrystals

Undoped and Fe doped CdS nanocrystals with Fe content of 2–5 at% of average crystallite size 1.2–2 nm have been obtained using chemical co-precipitation method with 2-mercaptoethonal as capping agent at 80 °C. X-ray diffraction (XRD) results showed that the undoped CdS nanocrystals were in mixed phase of cubic and hexagonal, where as the doped CdS nanocrystals were in hexagonal phase. Room-temperature ferromagnetism has been observed in Fe-doped CdS nanocrystals. Magnetic studies indicated diamagnetism in undoped, ferromagnetism in lightly doped (2 and 3 at%) and paramagnetism in samples of higher Fe content (4 and 5 at%). The substitutional incorporation of Fe³⁺ ion in Cd²⁺ sites was reflected in structural and electron paramagnetic resonance (EPR) measurements. Isolated as well as interacting Fe³⁺ ions are observed in EPR.     

Fe原子薄片的磁性:第一性原理计算

使用基于密度泛函理论的第一原理方法,对Fe单层原子薄片在二维正方、二维六角晶格下的电子结构和磁学性质进行了系统研究.结果表明,二维正方、二维六角以及bcc晶格在平衡晶格常数下都具有磁性,其单位原子磁矩分别为2.65,2.54和2.20μ_В.对二维晶格在被压缩和被拉伸时的磁性计算表明,随着晶格的被拉伸,当最近邻原子间距大于4.40时,铁原子间的键合被拉断,体系单位原子的磁矩趋于孤立Fe原子的磁矩4μ_В;随着原子键长的减小,各体系的磁矩 关键词： Fe 原子薄片 磁性 从头计算     

Unconventional temperature enhanced magnetism in Fe1.1Te

Our inelastic neutron scattering study of spin excitations in iron telluride reveals remarkable thermal evolution of the collective magnetism. In the temperature range relevant for the superconductivity in FeTe(1-x)Se(x) materials, where the local-moment behavior is dominated by liquidlike correlations of emergent spin plaquettes, we observe unusual, marked increase of magnetic fluctuations upon heating. The effective spin per Fe at T ≈ 10 K, in the phase with weak antiferromagnetic order, corresponds to S ≈ 1, consistent with the recent analyses that emphasize importance of Hund's coupling [K. Haule and G. Kotliar, New J. Phys. 11, 025021 (2009).]. However, it grows to S ≈ 3/2 in the high-T disordered phase, suggestive of the Kondo-type behavior, where local magnetic moments are entangled with the itinerant electrons.     

Onset of non-collinear magnetism in small Fe clusters

The onset of noncollinear magnetism in small Fe_N clusters is investigated by using a rotational invariant tight-binding Hamiltonian. The ground-state local magnetic moments, magnetic order and average magnetic moments are calculated as a function of the Coulomb exchange integral J. Representative results for Fe₃ and Fe₅ show that the noncollinear magnetic solutions are the most stable. A variety of qualitatively different self-consistent solutions is obtained as a function of J. This includes magnetic solutions with collinear and noncollinear spin arrangements. Our calculations are compared with previous density-functional results. Extensions and limitations of our work are also pointed out.     

First-principles calculation of magnetism of icosahedral Fe clusters

Icosahedral iron clusters are synthesized and characterized in our group by using experimental methods.But the measurements of magnetic properties still face difficulties:the sizes of the clusters and the amount of product.Therefore theoretical methods are employed to study these issues.In this paper,icosahedral iron clusters containing 13,55,147,309 atoms are calculated by ab initio techniques.After the structural relaxation,the magnetism of the clusters is found to be similar to that of face centred cubic(FCC) iron with stronger ferromagnetism on the surface.But the central atom of each cluster is exceptional,which has a smaller magnetic moment.We also study the electronic structural properties in the clusters for a better explanation of the magnetism.It is suggested that in small clusters,the magnetic properties still depend on the local structural arrangement.     

Surface magnetism in organic charge transfer salts

We have investigated the magnetic properties of the charge transfer salts Qn(TCNQ)₂, Cs₂(TCNQ)₃ and TTF—TCNQ in the form of single crystals and after strong pressing or grinding to a fine powder, which introduces lattice defects and increases the surface area. It is found that for the former two compounds pressing or grinding leads to a non-linear, saturating component in the magnetisation field curves, whereas the effect is absent for TTF—TCNQ. It is suggested that this behaviour could arise from strongly coupled localised spins at the surface, i.e. surface magnetism in these materials.     

Surface magnetism of real iron borate monocrystals

A theory of the surface magnetism of iron borate, FeBO₃, allowing for the non-ideality of the crystal structure of the near-surface layer is constructed. Since the magnetizing field of a near-surface layer appears to be inversely proportional to the tenth power of the crystal lattice parameter, the influence of the non-ideality on the surface magnetism should be substantial. The suggested models of reconstruction make it possible to describe experiments if the magnitude of the deformations is in agreement with literature data. The theoretical dependence of the value of the surface anisotropy on the concentration of point defects in a near-surface layer of the crystal is also established.     

Surface magnetism of Al-substituted Sr-M-type hexagonal ferrites

The surface and bulk magnetic structures of Sr-M-type single-crystal hexagonal ferrites (with the chemical formula SrFe_12?x Al_xO₁₉) have been directly compared by simultaneous gamma, x-ray, and electron Mössbauer spectroscopy. It was found, that when the magnetic lattice of Sr-M hexagonal ferrites is slightly diluted by diamagnetic Al ions, namely, for x=1.8 (SrFe_10.2Al_1.8O₁₉), a ～300-nm thick macroscopic anisotropic layer forms on the crystal surface, wherein iron-ion magnetic moments are oriented differently from those in the bulk of the sample. The reason for the onset of a noncollinear magnetic structure in the surface layer of SrFe_10.2Al_1.8O₁₉ crystals is the additional lowering of the exchange interaction energy caused by the presence of such a “defect” as the surface. Thus an anisotropic surface layer predicted theoretically by L. Néel in 1954 has been detected in ferromagnetic crystals.     

Size effect on magnetism of Fe thin films in Fe/Ir superlattices

In ferromagnetic thin films, the Curie temperature variation with the thickness is always considered as continuous when the thickness is varied from n to n+1 atomic planes. We show that it is not the case for Fe in Fe/Ir superlattices. For an integer number of atomic planes, a unique magnetic transition is observed by susceptibility measurements, whereas two magnetic transitions are observed for fractional numbers of planes. This behavior is attributed to successive transitions of areas with n and n+1 atomic planes, for which the T(c)'s are not the same. Indeed, the magnetic correlation length is presumably shorter than the average size of the terraces. Monte Carlo simulations are performed to support this explanation.