Magnetism and structure of hexagonal Fe in Fe/Ru superlattices

Mössbauer spectroscopy is applied to study the magnetism and the local structure of Fe/Ru superlattices. Fe Layers show hcp structure, isomorphous with Ru. A well-defined symmetry is observed at Fe sites, withV _zz along thec axis. The Fe/Ru interfaces are non-magnetic over the two first layers, but a large moment (2μ_B/Fe) exists beyond. Magnetic coupling between neighbouring Fe Layers is observed at small spacing, i.e. for Ru thickness lower than 13 Å typically.     

On the magnetic structure of a hexagonal Ising antiferromagnet

Domain wall free energies are calculated in a hexagonal Ising antiferromagnet and shown to be very small compared with those in an ordinary two-sublattice antiferromagnet. It is suggested that the magnetic structure of its higher temperature ordered phase is one in which many domains are tangled with each other. Some comments are given on experimental results in CsCoCl₃ and CsCoBr₃.     

NMR spectra of57Fe in hexagonal ferrites with magnetoplumbite structure

The NMR spectra of⁵⁷Fe in domains of MFe₁₂O₁₉ (M=Ba, Sr, Pb) were measured by spin echo technique at 4.2 K. The change of the heavy ion causes frequency shifts of lines corresponding to Fe³⁺ ions in 2b and 4f₂ sites while leaving other lines essentially unchanged; the significant role of different Fe³⁺−M²⁺ bonding was found. The dipolar broadening of lines in BaFe₁₂O₁₉ caused by random and static displacement of bipyramidal Fe³⁺ ions from the mirror plane is calculated and the results are compared with the experiment.     

Electronic structure and magnetism of a Pd monolayer on Fe(100)

Spin-polarized self-consistent localized-orbital (SCLO) calculations have been performed for a five-plane slab simulating Pd/Fe(100). Pd monolayers were placed in registry with both faces of a three-plane Fe(100) slab. We chose a PdFe bond length equal to the sum of metallic radii, 2.62 Å, and an FeFe bond length equal to the bulk value, 2.49 A. The computed energy bands for the Pd/Fe₃/Pd slab resemble those calculated for a five-plane Fe(100) slab, except for a positive work-function shift of 0.5 eV. The Pd monolayer has a magnetic moment of 0.37μ_B/atom. The magnetic moment of an adjacent iron atom is 2.74μ_B, slightly smaller than the value 2.89μ_B at the surface of Fe₅, but still significantly larger than the central-plane value 2.37μ_B. The d bands of the two metals are strongly hybridized, but very little charge transfer takes place across the interface. Compared with the isolated Pd(100) monolayer, or the clean Fe(100) slab, the surface density of states of Pd/Fe(100) is rather weak near the Fermi level, suggesting a reduced chemical reactivity for this surface.     

Theoretical study of the influence of vacancies on the electronic structure of a hexagonal boron nitride monolayer

The influence of boron and nitrogen vacancies and divacancies on the electronic structure of a hexagonal boron nitride h-BN monolayer is studied. In the presence of vacancies in the structure, the introduced states appear in the forbidden band. The position of an introduced state with respect to the upper occupied level and the lower vacant level depends on deformation. Calculations show that, depending on the defect type and the magnitude of the applied deformation, the introduced state can be both localized and not localized on atoms surrounding the defect. When the state is localized in the system, the inhomogeneous distribution of the spin density is observed, resulting in the appearance of the magnetic moment in the system.     

57Fe NMR spectra in domain walls of hexagonal ferrites with magnetoplumbite structure

The domain wall NMR spectra of⁵⁷Fe were measured on polycrystalline samples of BaFe₁₂O₁₉ and SrFe₁₂O₁₉ at 4·2 K. We have calculated the anisotropy of the hyperfine field dipolar component. The measured NMR spectra were interpreted supposing that the hyperfine field anisotropy is caused only by the dipolar field anisotropy.     

Zitterbewegung in monolayer silicene in a magnetic field

We study the Zitterbewegung in monolayer silicene under a perpendicular magnetic field. Using an effective Hamiltonian, we have investigated the autocorrelation function and the density currents in this material. Moreover, we have analyzed other types of periodicities of the system (classical and revival times). Finally, the above results are compared with their counterparts in two other monolayer materials subject to a magnetic field: graphene and MoS₂.     

Strain-regulated electronic structure for hydrogen evolution reaction in Fe3S4 monolayer

Electrochemical water splitting to generate hydrogen could be an important part of future renewable energy, but faces challenge due to the scarcity of effective earth-abundant electrocatalysts and insufficient understanding of catalytic mechanism. Herein, we predicated strain-induced changes in electronic structure and catalytic performance of low-cost two-dimensional Fe₃S₄ material. The calculations disclose that the half-metallic feature evolves into metallicity under applied external strain, which makes Gibbs adsorption free energy of hydrogen close to zero. Different from traditional doping and defecting strategies, this work demonstrates that excellent catalytic activity for water splitting can be achieved by inducing a small lattice deformation in Fe₃S₄ monolayer. Our findings provide new inspirations for the steering of electronic structure and designing of new-type catalysts.     

57Fe NMR study of a spatially modulated magnetic structure in BiFeO3

The ⁵⁷ Fe spin echo spectra were studied in local magnetic fields of a BiFeO₃ ferroelectric antiferromagnet over the temperature range 77–304 K. The line shape analysis confirmed the presence of a spatially modulated, incommensurate cycloidal spin structure in BiFeO₃ and allowed the actual spin distribution to be reproduced throughout the cycloid length. The distribution was found to be essentially anharmonic. The modulated structure is stable over the whole temperature range studied. The cycloid wave becomes more harmonic with temperature elevation.     

Analysis of the microwave magnetic permeability spectra of ferrites with hexagonal structure

This paper presents the results of theoretical and experimental investigations of the microwave magnetic permeability spectra of polycrystalline ferrites with hexagonal crystal structure. It is shown that the observed nonmonotone frequency dependence of the permeability is due to the features of the natural ferromagnetic resonance in the presence of a domain structure. The calculations of the contribution of the rotation of the magnetization vector to the permeability performed in the approximation of independent grains adequately describe experimental data. __________ Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 9, pp. 119–124, September, 2006.     

Structural,magnetic properties,and electronic structure of hexagonal FeCoSn compound

The structural, magnetic properties, and electronic structures of hexagonal Fe Co Sn compounds with as-annealed bulk and ribbon states were investigated by x-ray powder diffraction(XRD), differential scanning calorimetry(DSC), transmission electron microscope(TEM), scanning electron microscope(SEM), magnetic measurements, and first-principles calculations. Results indicate that both states of FeCoSn show an Ni_2In-type hexagonal structure with a small amount of FeCo-rich secondary phase. The Curie temperatures are located at 257 K and 229 K, respectively. The corresponding magnetizations are 2.57 μB/f.u. and 2.94 μB/f.u. at 5 K with a field of 50 kOe(1 Oe = 79.5775 A·m~(-1)). The orbital hybridizations between 3 d elements are analyzed from the distribution of density of states(DOS), showing that Fe atoms carry the main magnetic moments and determine the electronic structure around Fermi level. A peak of DOS at Fermi level accounts for the presence of the FeCo-rich secondary phase. The Ni_2In-type hexagonal FeCoSn compound can be used during the isostructural alloying for tuning phase transitions.     

Quantum transformation of spin structure of a Fe8 nanocluster in ultrastrong magnetic fields

The transformation of the spin structure of a high-spin Fe₈ cluster in a strong magnetic field has been investigated. The magnetization and magnetic susceptibility of the material are calculated at different external magnetic fields and temperatures. It is shown that the magnetic field induces transformation of the spin structure of a Fe₈ cluster from the quasi-ferrimagnetic structure with an average magnetic moment of 20 μ_B per molecule to the quasi-ferromagnetic structure with a magnetic moment of 40 μ_B. Unlike a similar transformation of a Néel ferrimagnet, which is continuous and occurs through an intermediate angular phase, this process in Fe₈ at low temperatures manifests itself as a cascade of discrete quantum jumps, each being the transition accompanied by an increase in the spin number of the complex. At high temperatures, the behavior of the magnetic cluster approaches the cluster behavior described by the classical theory. The nature of quantum jumps is discussed in terms of the magnetic-field-induced energy level crossing in the ground state of a magnetic cluster. __________ Translated from Fizika Tverdogo Tela, Vol. 42, No. 6, 2000, pp. 1068–1072. Original Russian Text Copyright ? 2000 by Zvezdin, Plis, Popov.     

外场调控下硼磷烯量子点的电子结构和光学性质研究

采用紧束缚近似方法对锯齿状六边形硼磷烯量子点在平面电场和垂直磁场调控下的电子结构和光学性质进行了研究. 研究表明,硼磷烯量子点作为直接带隙半导体,在无外加电场和磁场作用时,能隙不随尺寸的改变而变化. 在平面电场调控下,能隙随电场强度的增加逐渐减小直至消失,平面电场方向几乎不会对硼磷烯量子点体系产生影响, 且随量子点尺寸的增大,能隙消失所需电场强度逐渐减小. 在垂直磁场调控下,表现为体态的能级在磁场作用下形成朗道能级,而能隙边缘处的朗道能级近似为一个平带,不随磁通量的改变而变化,态密度主要分布于朗道能级处. 另外,垂直磁场作用下的光吸收主要是由朗道能级之间的跃迁引起的.     

Observation of the domain structure of Nd–Fe–B magnets using the SEM type-I magnetic contrast

In this paper, we present the first observation of the domain structure of Nd–Fe–B magnets with the type-I magnetic contrast in a scanning electron microscope (SEM). The applied method was supported with digital image recording, enhancement and analysis. Observations were made at the surfaces perpendicular to the alignment axis. The domain pattern is revealed in the form of undulated stripes magnetized alternately in the two directions along the alignment axis. However, because of insufficient spatial resolution of the SEM type-I magnetic contrast we could not observe reverse spike domains of about 0.5 μm in diameter, the presence of which was proved by Bitter pattern technique and magnetic force microscopy (MFM). The smallest resolvable domain was 0.8 μm in width, being the best result so far obtained with the type-I magnetic contrast method. Some aspects related to the domain observation with the method applied are discussed in more detail. It is anticipated that the spatial resolution of the method can be improved to 0.2–0.3 μm by employing SEMs with high-brightness electron guns.