Reduction of magnetic moments in very thin Cr layers of Fe/Cr multilayers: evidence from 119Sn Mössbauer spectroscopy

Fe/Cr multilayers with monatomic Sn layers embedded in the Cr layers were grown epitaxially on MgO(001) substrates, and the magnetic hyperfine field at the 119Sn nuclear sites was examined using M?ssbauer spectroscopy. It was found that nonzero hyperfine field is induced at the Sn sites at room temperature and that the value reduces drastically from 10 to 2 T when the Cr layer thickness decreases from 80 to 10 A. The result indicates that the Cr layers are magnetically ordered even when the thickness is very small and that the magnetic moments of Cr become smaller as the Cr layer thickness decreases.     

Effect of vacancies on the spin density waves onset in Fe/Cr superlattices

The spin density wave’s onset in Cr based superlattices is considered within proximity of Fe interlayer boundaries and the effect of randomly located vacancies in Cr monolayers is examined. The study is performed for Fe/Cr, Fe/Cr/V superlattices with odd and even number of Cr monolayers. It is shown that the number of Cr monolayer determines the spin density wave’s nodes onset in the perfect Fe/Cr super lattices. Pinning of Cr magnetic moments on vacancies destroys this determination and leads to appearance or disappearance of nodes.     

Magnetic ordering in CoMnSn studied by neutron diffraction and 119Sn Mössbauer spectroscopy

Neutron diffraction, magnetometric and Mössbauer effect experiments were performed on CoMnSn. The latter two agreed in giving transition temperature of 145 K. The canted magnetic moment arrangement was found and Sn atoms were proved to occupy several magnetically non-equivalent positions leading to significant distribution of hyperfine parameters.     

Pr2(Fe0.8Co0.2)14B磁结构的中子衍射研究

本文报道用中子衍射测定的含硼稀土过渡族金属间化合物Pr₂(Fe_0.8Co_0.2)₁₄B的晶体结构与磁结构。将中子三轴谱仪用作二轴粉末衍射仪,在室温测该化合物粉末样品的中子衍射强度,用轮廓精化法弥合衍射数据。该化合物属Nd₂Fe₁₄B类四方结构,α=8.8110?,c=12.2307?。设Pr,Fe和Co原子磁矩间为铁磁耦合,同一晶位的Fe,Co原子磁矩相等,存在沿c轴的易磁化 关键词：     

An estimation of the magnetic disorder at Fe/Cr interfaces in coupled and non-coupled Fe/Cr multilayers

The antiferromagnetic coupling at the Fe/Cr interfaces, inferred from the orientation of the Cr magnetic moments, is used to estimate the magnetic disorder resulting from the interfacial roughness in Fe/Cr multilayers. A crossover from in-plane to out-of-plane orientation of Cr moments depends on the energy cost in either case: (i) to break the interfacial Fe–Cr antiferromagnetic coupling or (ii) having sites with frustrated Cr–Cr antiferromagnetic coupling in the Cr interlayers. A quantitative model of the magnetic frustration due to interfacial disorder in Fe/Cr multilayer systems is described. The step edge density, or terrace size, required to break the interfacial Fe–Cr coupling and destroy the Fe–Fe interlayer exchange coupling is estimated.     

Magnetic properties of NpM4Al8−x (M=Cr,Fe, Cu) intermetallics: Mössbauer effect and neutron diffraction studies

Mössbauer effect and neutron diffraction studies on the tetragonal NpM₄Al_8?x (M=Cr, Fe, Cu) of the 14/mmm space group are reported. In NpFe₄Al_8?x, both the Np and Fe sites order magnetically at close temperatures: the Np order ferromagnetically at 115(15) K (μ(Np)) ～ 0.6 μ_B and the Fe moments order antiferromagnetically at 130(10) K (μ(Fe) = 1.05(15) μ_B) with a ++?? sequence. In NpCr₄Al_8?x, the Np order magnetically around 50K. From the susceptibility data we conclude possible antiferromagnetic order of both Np and Cr sites. NpCu₄Al_8?x does not order magnetically down to at least 2 K. The magnetic hyperfine splitting observed below 45 K is explained by slow paramagnetic relaxation. The Np isomer shifts and also its magnetic behavior point to a trivalent ion (⁵I₄ Hund's rule ground state). The observed relaxation and magnetic phenomena are discussed in terms of crystalline electric field effects. In contrast to the isostructural rare-earth RM₄Al₈ compounds with practically independent order of R and M magnetic sublattices, we show that Np and M sublattices in NpM₄Al₈ are strongly coupled. This is caused by hybridization of both Np and M atoms with Al.     

Surface dependence of the magnetic configurations of the ordered B2 FeCr alloy

Tight-binding linear muffin tin orbitals calculations with generalized gradient approximation were carried out for the magnetic configurations at the surface of the ferromagnetic ordered B2 FeCr alloys. For both (001) and (111) crystallographic phases, non ferromagnetic configurations are shown to be more stable than the ferromagnetic configuration of the bulk alloy. For (001) surface we display a c ground state for either Cr or Fe at the surface. For Cr top layer the magnetic moments are larger than in the bulk B2 FeCr while they are slightly enhanced for Fe top layer. For (111) surface an antiferromagnetic coupling between surface and subsurface is always obtained i.e. for either Fe or Cr at the surface. This change of coupling between Fe and Cr (from ferromagnetic to antiferromagnetic) is expected to be fundamental to any explanation of the experimental results obtained for the interface alloying at the Fe/Cr interfaces. Received 23 March 1998     

Magnetism of Fe in SrFe2As2: Local investigation by time differential perturbed angular distribution (TDPAD) spectroscopy

Employing the γ-ray perturbed angular distribution technique, we have measured the magnetic hyperfine field of ⁵⁴Fe in tetragonal and orthorhombic structural phases of SrFe₂As₂. In the tetragonal phase, the magnetic response of ⁵⁴Fe shows Curie-Weiss type local susceptibility, indicating the presence of localized moment on Fe. The temperature dependence of the hyperfine field of ⁵⁴Fe reflects quasi-two dimensional first order magnetic transition at 200 K. Our data indicate that Fe moments in the magnetically ordered phase of SrFe₂As₂ may be canted out of the ab-plane.     

Molecular-Dynamics Approach to the Magnetic Structure of Competing Magnetic Alloys: Fe-Cr Alloys

A molecular dynamics (MD) approach which determines automatically the complex magnetic structures in itinerant electron systems is applied to Fe-Cr alloys with use of 250 atoms in a MD unit cell (5×5×5 bcc lattice). It is demonstrated that the Fe-Cr alloys show various complex magnetic structures due to competing interactions: the collinear ferromagnetism (F) of matrix Fe with antiparallel Cr moments beyond 80 at.% Fe, the coexistence of non-collinear structure of Cr and collinear F of Fe between 50 and 75 at.% Fe, the coexistence of broken antiferromagnetism (AF) of Cr and the F of Fe between 25 and 45 at.% Fe, the coexistence of F of Fe and antiferromagnetic long-range order of Cr around 20 at.% Fe, the AF of Cr matrix with non-collinear Fe moments (spin-glass like structure) between 5 and 15 at.% Fe, and the AF below 5 at.% Fe. In the concentration region between 5 and 20 at.% Fe, ferromagnetic Fe pairs which are stabilized with different amplitudes of local moments are found. The magnetic phase diagram and calculated magnetic moments are shown to be consistent with the neutron, Mössbauer, and photoemission experiments.     

Direct observation of a bulklike spin moment at the Fe/GaAs(100)-4x6 interface

We have used x-ray magnetic circular dichroism, which offers a unique capability to give element specific information at submonolayer sensitivity, to determine the spin and orbital magnetic moments at the Fe/GaAs(100) interface. The wedge samples, grown by molecular beam epitaxy at room temperature, consisted of 0.25-1 monolayer (ML) Fe on GaAs(100)-4x6 capped with 9 ML Co and have shown Fe spin moments of (1.84-1.96)micro(B) and a large orbital enhancement. Our results demonstrate unambiguously that the Fe/GaAs(100)-4x6 interface is ferromagnetic with a bulklike spin moment, which is highly promising for spintronics applications.     

A study of the induced magnetism in the Au spacer layer of Co/Au/CoO exchange-bias trilayers and related systems

We report the first observation of the effects of exchange bias on the nuclear spin polarization and induced magnetic moments at a magnetic/non-magnetic interface, applying low temperature nuclear orientation (LTNO) to Co/Au(x)/CoO trilayer systems. This technique allows us to determine simultaneously the average alignment of the nuclear moments for the two radioactive probe isotopes 198Au and 60Co with respect to an external magnetic field axis. The total average Au γ-ray anisotropy measured was found (i) to decrease with increasing Au thickness, indicating that large hyperfine fields are restricted to the interfacial Au layers and (ii) to be canted away from the applied field axis even when the Co layers are magnetically saturated. This canting was found to originate at the CoO/Au interface as could be shown from comparative measurements on CoO/Au/CoO trilayers containing two AFM CoO/Au interfaces and on a Co/Au/Co trilayer with two FM Co/Au interfaces. In the case of CoO/Au/CoO, the observed canting was found to be dependent on the Au layer thickness.     

CEMS-study of the interface in Fe/Cr multilayer systems

The magnetic hyperfine (hf.) fields at the Fe/Cr interface were analyzed in epitaxial Fe/Cr thin film structures of (100)- and (110)-orientation with monolayer resolution by means of in-situ⁵⁷Fe Conversion Electron Mössbauer Spectroscopy (CEMS). The hf. field (300 K) in the 1st Fe-monolayer (ML) at the interface has been found to be strongly reduced to 22.0/20.9 T for (110)-/(100)-orientation, whereas the 2nd and 3rd ML reveal a slightly increased hf. field of 33.7 T as compared with the Fe-bulk value of 33.4 T. The temperature dependence of the hf. field at the interface shows aT ^3/2 spin wave law. The spin wave parameters are enlarged with respect to the bulk value indicating a reduced exchange interaction. A discontinuity in theT ^3/2-dependence is interpreted by the onset of magnetic order (Néel-temperature) of the Cr layers adjoining the⁵⁷Fe probe layer.     

Magnetic dipolar and electric quadrupolar effects on the Mössbauer spectra of magnetite above the Verwey transition

Mössbauer spectroscopic studies (⁵⁷Fe) of powdered magnetite have been undertaken between 120 K and 880 K. Below the magnetic transition temperature (T _C=839.5 K) three six-line patterns have been fitted to our experimental spectra. The broadening of the B-pattern is explained by two magnetically non-equivalent B-site irons, suggesting broadening due to electron hopping to be negligible. In the paramagnetic state the electric quadrupole splittings of iron at A-and B-sites are found to be constant, independent of temperature, having the values zero and 0.16 mm/s, respectively. The centroid shifts, on the other hand, show above 700 K large deviations from the calculated second order Doppler shift. It is proposed that the deviations arise from a variation in band overlap. The temperature variation of the magnetic fields is found to be proportional to the sublattice magnetization. The difference in the magnetic fields at the two non-equivalent B-sites is measured to be 1.1 T at 310 K.     

Structure of sputter-deposited Pt/Fe and Cr/Fe multilayers

Conversion electron Mössbauer spectroscopy (CEMS) and X-ray diffraction (XRD) have been used to investigate the structure of Pt/Fe and Cr/Fe multilayers deposited by magnetron sputtering. The Cr/Fe samples consisted of four samples prepared under Ar sputtering pressures of 1.3, 3.0, 5.0, and 10.0 mT, all with the same multilayer structure of 3.5 nm Cr/2.5 nm Fe, repeated 35 times onto c-Si wafer substrates. The quality of the interfaces between Cr and Fe is clearly degraded with increasing sputter pressure, as seen by changes in the relative intensities of four magnetic subspectra in the CEMS and the gradual appearance of a single-line resonance similar to Fe in solution in Cr. The low-angle XRD superlattice peaks also disappear with increasing sputter pressure, while the high-angle XRD shows a tendency for loss of the preferred (110) texture. Two films of Pt/Fe were deposited epitaxially onto MgO single crystals with bilayer periods of 1.3 nm and 2.6 nm and total thickness of 300 nm each. A transition from fcc-PtFe with near-perpendicular magnetic anisotropy to a bcc-Fe/fcc-PtFe mixture with in-plane magnetic texture is observed by CEMS for the factor of two increase in bilayer period.     

Ab initio calculations of magnetic structure and lattice dynamics of Fe/Pt multilayers

The magnetization distribution, its energetic characterization by the interlayer coupling constants and lattice dynamics of (001)-oriented Fe/Pt multilayers are investigated using density functional theory combined with the direct method to determine phonon frequencies. It is found that ferromagnetic order between consecutive Fe layers is favoured, with the enhanced magnetic moments at the interface. The bilinear and biquadratic coupling coefficients between Fe layers are shown to saturate fast with increasing thickness of nonmagnetic Pt layers which separate them. The phonon calculations demonstrate a rather strong dependence of partial iron phonon densities of states on the actual position of Fe monolayer in the multilayer structure.     

Frontier orbitals analysis and density-functional energetics for metal-substituted fullerene C58Fe2

The formation mechanism, geometric structures, and electronic properties of a metal-substituted fullerene C₅₈Fe₂ have been studied using frontier orbital theory (FOT) and density functional theory (DFT). FOT predicts that two Fe atoms prefer to substitute the two carbons of a [6,6] double bond of C₆₀ yielding a structure denoted as C₅₈Fe₂-3, which is different from the two equivalent substitution sites, i.e., the sites on the opposite of C₆₀ cage or in the nearest neighboring sites of a pentagonal ring for C₅₈X₂ (X=N and B), and also different from the cross sites of a hexagonal ring for C₅₈Si₂. Five possible structures of C₅₈Fe₂ are optimized using DFT to see whether FOT works. The DFT calculations support the prediction of FOT. The Mulliken charge of Fe atom in C₅₈Fe₂-3 shows that the two Fe atoms of C₅₈Fe₂-3 lose 0.70 electron to the carbons of the cage, and the net spin populations of Fe atom indicate that each Fe atom has 1.11 μ_B magnetic moments, while each of the four nearest neighboring carbons has magnetic moments. Thus, the two Fe atoms have ferromagnetic interaction with each other, and have weak antiferromagnetic interaction with their four nearest neighboring carbons, leaving 2.0 μ_B magnetic moments for the molecule.     

Complex magnetism in ultra-thin films: atomic-scale spin structures and resolution by the spin-polarized scanning tunneling microscope

In this paper we present a density functional theory investigation of complex magnetic structures in ultra-thin films. The focus is on magnetically frustrated antiferromagnetic Cr and Mn monolayers deposited on a triangular lattice provided by a Ag (111) substrate. This involves non-collinear magnetic structures, which we treat by first-principles calculations on the basis of the vector spin-density formulation of the density functional theory. We find for Cr/Ag (111) a coplanar non-collinear periodic 120° Néel structure, for Mn/Ag (111) a row-wise antiferromagnetic structure, and for Fe/Ag (111) a ferromagnetic structure as magnetic ground states. The spin-polarized scanning tunneling microscope (SP–STM) operated in the constant-current mode is proposed as a powerful tool to investigate complex atomic-scale magnetic structures of otherwise chemically equivalent atoms. We discuss a recent application of this operation mode of the SP–STM on Mn/W (110), which led to the first observation of a two-dimensional antiferromagnet on a non-magnetic metal. The future potential of this approach is demonstrated by calculating SP–STM images for different magnetic structures of Cr/Ag (111). The results show that the predicted non-collinear magnetic ground state structure can clearly be discriminated from competing magnetic structures. A general discussion of the application of different operation modes of the SP–STM is presented on the basis of the model of Tersoff and Hamann. Received: 07 May 2001 / Accepted: 23 July 2001 / Published online: 3 April 2002     

Magnetism of CrO overlayers on Fe(001)bcc surface: first principles calculations

Riva et al. [Surf. Sci. 621, 55 (2014)] as well as Calloni et al. [J. Phys.: Condens. Matter 26, 445001 (2014)] have studied the oxydation of Cr films deposited on Fe(001)bcc through low-energy electron diffraction, Auger electron spectroscopy and scanning tunneling microscopy. In the present work we perform a density functional approach within Quantum Expresso code in order to study structural and magnetic properties of CrO overlayers on Fe(001)bcc. The calculations are performed using DFT+U. The investigated systems include O/Cr/Fe(001)bcc, Cr/O/Fe(001)bcc, Cr_0.25O_0.75/Fe(001)bcc, as well as the O coverage O _x /Cr/Fe(001)bcc (x = 0.25; 0.50). We have found that the ordered CrO overlayer presents an antiferromagnetic coupling between Cr and Fe atoms. The O atoms are located closer to the Fe atoms of the surface than the Cr atoms. The ground state of the systems O/Cr/Fe(001)bcc and Cr/O/Fe(001)bcc corresponds to the O/Cr/Fe(001)bcc system with a magnetic coupling c(2 × 2). The effect of the O monolayer on Cr/Fe(001)bcc changes the ground state from p(1 × 1) ↓ to c(2 × 2) and produces an enhancement of the magnetic moments. The O _x overlayer on Cr/Fe(001)bcc produces an enhancement of the Cr magnetic moments.     

Electronic structure and magnetism of R(Fe,Si)12 (R = Y, Nd)

The newly developed full-potential linearized augmented plane wave (LAPW) and local orbitals (lo) based on standard APW methods are briefly introduced, and the structure and magnetic properties of R(Fe, Si)12 compounds (R = Y, Nd) are calculated using the method. The distribution of Si at different sites is analyzed based on total energy of one crystal unit with structure having been optimized. The characters of magnetic moments, total density of states (TDOS) and partial density of states (PDOS) for different crystal sites Si occupies are obtained and analyzed. The results show that the total magnetic moments of RFe10Si2 (R = Y, Nd) are larger than those of RFe10M2 (M = Ti, V, Cr, Mn, Mo and W) and the hybridization mechanism is seen as follows. Si(8j) reduce the magnetic moments of Fe at three sites, however, Si(8f) mainly reduce the magnetic moments of Fe(8i) and Fe(8j) atoms. The Curie temperature is markedly enhanced by the introduction of Si atoms according to spin fluctuation of DOS at Fermi level.