Electronic structure and magnetism of Cr/Sn multilayer systems

The electronic structure and magnetism of Cr/Sn and Fe/Cr/Sn/Cr multilayer systems with monolayer Sn are studied by means of a first-principles method. The calculated hyperfine field at Sn site is significantly large (∼20 T) in Cr/Sn multilayers, while the value is remarkably diminished (∼4 T) in the case of Fe/Cr/Sn/Cr multilayers. This trend of the hyperfine field is consistent with recently reported experimental results. It is found that the hyperfine field at Sn site is determined by the spin magnetic moment at the interface Cr site. The most important feature in the electronic structure of the multilayer systems is the existence of an interface state at the Cr interface layer near the Fermi energy region.     

Coverage-dependent magnetization of 3d transition-metal adatoms on Co(0 0 1) in the submonolayer regime

The electronic structure of 3d transition-metal atoms on face-centered cubic Co(0 0 1) substrate is determined within ab initio density functional calculations in the gradient corrected approach. Calculations are performed for ordered surface configuration with coverage equal to 0.25, 0.5, 0.75 and 1 ML. For Ni and Fe a ferromagnetic coupling with the Co atoms is always obtained independently of the concentration. Moreover the values of the magnetic moments remain similar. For Mn a ferromagnetic coupling is obtained for low-coverage whereas an in-plane antiferromagnetic coupling is found for a complete Mn overlayer on Co(0 0 1). Also, for Sc, Ti, V and Cr a drastic modification of the magnetic map is observed when we go from low-coverage to the monolayer. Cr (Mn) adatoms present antiferromagnetic (ferromagnetic) coupling with Co(0 0 1) for x = 0.25 whereas an in-plane antiferrimagnetic coupling is obtained for x = 1.00.     

Mössbauer-effect studies of multilayers and interfaces

The usefulness of Mössbauer spectroscopy for the investigation of magnetic multilayer systems is described. By applying ⁵⁷Fe Mössbauer spectroscopy, the behavior of ultrathin magnetic layers, such as FCC-like Fe films on Cu(0 0 1), is studied. Position-specified (depth-selective) information is available by preparing samples in which monatomic ⁵⁷Fe probe layers are placed at specific vertical positions, e.g. at interfaces or at the surface. As demonstrated for epitaxial chemically ordered Fe₅₀Pt₅₀ alloy films and polycrystalline nanostructured Tb/Fe multilayers, the Fe-spin structure can be determined directly, and a site-selective Fe-specific magnetic hysteresis loop can be traced in very-high-coercivity materials. For the studies of non-magnetic layers, on the other hand, hyperfine field observations by ¹⁹⁷Au and ¹¹⁹Sn probes are worthwhile. Spin polarizations in Au layers penetrating from neighboring ferromagnetic 3D layers are estimated ¹⁹⁷Au from Mössbauer spectra and are also studied by inserted ¹¹⁹Sn probes in Au/3D multilayers. In the Sn spectra for Cr/Sn multilayers, it was found that remarkably large spin polarization is penetrating into Sn layers from a contacting Cr layer, which suggests that Cr atoms in the surface layer have a ferromagnetic alignment.     

Metastable magnetic configurations of (V, Cr, Mn and Fe) on Ir(0 0 1) surfaces

We present a theoretical study of the electronic and magnetic structure of the 3d-transition metals (M = V, Cr, Mn and Fe) in several overlayer systems. The electronic as well as magnetic structures are investigated for pseudomorphic overlayers (M/Ir(0 0 1)), ordered alloyed overlayers of the type M_0.5Ir_0.5/Ir(0 0 1) and ordered binary surface alloys of V, Cr, Mn and Fe transition metals on Ir(0 0 1) substrates. The calculations are performed with a self-consistent tight-binding method using the unrestricted Hartree-Fock approximation within the Hubbard model. We obtained metastable c(2 × 2) configurations for V, Cr and Mn and a p(1 × 1) configuration for Fe pseudomorphic overlayers. However, ferrimagnetic configuration has been obtained for the ordered surface alloys M_0.5Ir_0.5 and the binary alloyed overlayers on Ir(0 0 1) surfaces.     

Magnetism of ultrathin Cr layers and Fe/Cr multilayers studied by 119Sn probes

Cr/Sn and Fe/Cr/Sn/Cr multilayers, where monatomic Sn layers are embedded in Cr layers and Fe/Cr multilayers respectively, were prepared by means of ultrahigh-vacuum deposition technique, and the magnetic hyperfine field induced at the ¹¹⁹Sn nuclear sites was examined using conversion electron Mössbauer spectroscopy. The magnetic structures of the Cr layers are inferred from the size and direction of the magnetic hyperfine field transferred at the Sn sites.     

Dimensional and proximity magnetic effects in Cr/V systems

The magnetic structure of Cr/V systems is investigated at T = 0 K using real-space tight-binding approach. The magnetism is described in the Hartree-Fock approximation of the Hubbard Hamiltonian and the density of states is calculated within the recursion technique. It is found that the hybridization of the V and Cr d-bands, the change in the lattice constant, the kind and the number of coordination play important roles in determining the magnetism of Cr and V atoms.It is also found, that the magnetic moments of Cr, and the induced magnetic moments on V atoms have the maximum value at (0 0 1) orientation, followed by (1 1 1) orientation, and the least at (0 1 1) orientation, due to the coordination.     

The spin-density waves in thin films of Cr in the Fe/Cr/Sn/Cr multilayers

Magnetism of Fe/Cr/Sn/Cr multilayers have been studied by the first-principles density-functional theory. Calculations by the full-potential linearized augmented plane waves (FP LAPW) and screened Korringa–Kohn–Rostoker (SKKR) methods have shown that two types of solutions may be found in these systems: a high-spin (HS) and a low-spin (LS) ones in accordance with the Cr magnetic moment magnitudes. In this work, we have concentrated our attention on the LS solution. The calculation has shown that the LS solution has a phase slip of antiferromagnetic ordering in Cr and is classified as an incommensurate spin density wave (ISDW). The dependence of the ISDW solution on the thickness of Cr, lattice parameter and boundary conditions has been investigated.     

Oscillatory ferromagnetic interlayer coupling in [Pt(5 Å)/Co(4 Å)]3/Cr(x Å)/[Co(4 Å)/Pt(12 Å)]3 multilayers with perpendicular anisotropy

Investigation has been performed on the interlayer coupling between two Co/Pt multilayers with perpendicular anisotropy separated by Cr spacers. As a function of the Cr spacer thickness, only ferromagnetic interlayer coupling has been observed between the two Co/Pt multilayers in contrast to the oscillatory interlayer coupling between ferromagnetic and antiferromagnetic observed in ferromagnetic layers with in-plane anisotropy separated by Cr spacers. It is the strength of the ferromagnetic interlayer coupling that has been observed to be oscillatory as a function of the Cr spacer thickness with a period of about 7 Å.     

Stabilization of the ferromagnetic configuration through alloying for monolayers of V, Cr, Mn on Pt(0 0 1) substrate

The magnetism is investigated for pseudomorphic monolayers of (V, Cr and Mn) and their substitutional c(2 × 2) alloyed structures adsorbed on Pt(0 0 1) semi-infinite surfaces using the semiempirical tight-binding method. Vanadium pseudomorphic monolayer exhibits a c(2 × 2) magnetic ordering, whereas Cr and Mn overlayers exhibit both c(2 ×  2) and p(1 × 1) magnetic structures. The substitutional alloyed overlayers exhibit ferrimagnetic structures that leads to appreciable net surface magnetization.     

Time resolved magnetic ordering and photo-induced gyrotropy at room temperature in CdMgTe-CdMnTe semiconductor micro-cavities

Using a picosecond pump and probe time-resolved technique we evidence a single pump pulse photo-induced magnetic ordering in a Mn-doped semiconductor magneto-photonic microcavity operating in the strong coupling regime at room temperature. This nanosecond duration magnetization is attributed to a magnetic ordering of the Mn-impurities mediated through photo-generated holes and enhanced through the confinement. It is distinct from the preceding short lived photo-induced spin orientation of carriers also evidenced by our technique for circularly polarized pump beams. The photo-generated magnetic flux density amounts to a 1 kG for beam fluences of few tens μJ cm⁻² and effective Mn concentrations of 5 nm⁻³; large photo-induced magneto-optic Kerr rotations are also evidenced.     

Magnetic properties and structure of FePt/FeMn multilayers

A systematic study of the magnetic properties by ion beam sputter-deposition system, was conducted in conjunction with the structure of FePt/FeMn multilayers fabricated onto MgO(0 0 1) substrates. Both parallel and perpendicular exchange biases were observed in the multilayers and were found to decrease drastically, as the deposition temperature is higher than 350 °C, which is evidently due to the interdiffusion at the interface. The thickness dependence study shows that the perpendicular magnetic anisotropy observed in the multilayers originates from surface anisotropy, being consistent with the decrease of perpendicular magnetic anisotropy as the deposition temperature is increased. The difference between parallel and perpendicular blocking temperatures that was clearly observed, is possibly due to the spin canting out of plane at the interface.     

Electronic structure and magnetism of V monolayer on a TM(0 0 1) (TM=Cr,Mo, W) surfaces: First-principles calculations

We investigated the electronic structure and magnetism of V monolayer (ML) on a TM(0 0 1)(TM=Cr, Mo, W) surface, using the full potential linearized augmented plane wave method based on density functional theory. General gradient approximation is used for exchange-correlation potential. The magnetic moments of the V ML's are calculated to be 1.33, 1.35, and 1.30 μ_B on Cr(0 0 1), Mo(0 0 1), and W(0 0 1) surfaces, respectively. All of the TM surfaces are coupled antiferromagnetically to the V monolayer and their magnetic moments are calculated to be −1.01, −0.26 and −0.17 μ_B for Cr, Mo and W substrates, respectively.     

Co/Cu multilayers studied by using the119Sn probe

To observe spin polarization in nonmagnetic layers sandwiched by magnetic layers,¹¹⁹Sn Mössbauer spectra of [Co(20 Å)/Cu(20-x Å)/¹¹⁹Sn(1.5 Å)/Cu(x Å)] (x=0, 5 and 10) multilayers were measured. A magnetic fraction is observed in every spectrum, and the average hyperfine field ¯H _f at Sn nuclei in a Cu layer changes from 14 kOe (x=0) to 8 kOe (x=10). It was also observed that the polarization is greatly reduced by adding a Cr layer of only 2 Å to the Co/Cu interfaces. The spectrum of thex=10 film, measured under an external field of 30 kOe, cannot be interpreted without assuming magnetic fractions both in parallel and antiparallel to the external field, which indicates an oscillation of spin polarization in a Cu layer.     

TM掺杂的Ⅲ-Ⅴ族稀磁半导体电磁性质的第一原理计算

使用基于自旋局域密度泛函理论的第一性原理方法对3d过渡金属(TM=V，Cr，Mn，Fe，Co和Ni)掺杂的Ⅲ-Ⅴ族半导体(GaAs和GaP)的电磁性质进行了计算.结果发现：用V，Cr和Mn掺杂时体系将出现铁磁状态，而Fe掺杂时将出现反铁磁状态，Co和Ni掺杂时，其磁性则不稳定.其中，Cr掺杂的GaAs和GaP将可能是具有较高居里温度的稀磁半导体(DMS).在这些DMS系统中，V离子的磁矩大于理论期待值，Fe，Co和Ni离子的磁矩小于理论期待值，Cr和Mn离子的磁矩与期待值的差距取决于晶体的对称性以及磁性离子的能带分布.此外，使用Si和Mn共同对Ⅲ-Ⅴ族半导体进行掺杂，将有利于DMS表现为铁磁状态，并可以使体系的T_C进一步提高. 关键词： 稀磁半导体 过渡金属 掺杂 共掺杂     

Half-metallicity and magnetic properties of half-Heusler type Mn2Sn: Ab initio predictions

Ab initio calculations have been carried out to investigate the electronic structure and magnetism of the compound Mn₂Sn with the bcc half-Heusler structure. For the equilibrium lattice parameter 5.69 Å, Mn₂Sn is predicted to be a half-metallic fully compensated ferrimagnet (also called half-metallic antiferromagnet) with zero total spin moment. This zero moment agrees well with the Slater-Pauling curve and mainly comes from the compensated Mn (A) and Mn (B) spin moments in antiparallel configuration. The half-metallicity of Mn₂Sn is stable in a wide lattice-parameter range from 5.6 Å to 5.9 Å. Upon contraction of the lattice, a transition from half-metallicity to semimetallicity is observed.     

Extraordinary Hall effect on Fe-rich amorphous thin films and Fe-rich/Cu multilayers

In this study we investigated the magnetic and transport properties of thin Fe-rich amorphous films and Fe-rich/Cu multilayers. We compared the extraordinary Hall effect in these two types of samples and discussed it in terms of thickness and sample structure. The thicker films exhibited a strong in-plane magnetic anisotropy, and by decreasing film thickness both saturated Hall resistivity and Hall sensitivity increase. A Hall resistivity value of 20 μΩ cm is observed in 100 nm thick Fe-rich films at 12 K and a sensitivity of 1.3 Ω/T is obtained at room temperature. Electrical conductance increases and Hall resistivity decreases when the films are sandwiched with Cu.     

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.     

Electronic structure and half-metallicity in Heusler alloys Fe2YB (Y=Ti, V, Mn, Cr)

The electronic structure and magnetic properties of B-based Heusler alloys Fe₂YB (Y=Ti, V, Cr and Mn) have been studied theoretically. These alloys are all ferrimagnets except for Fe₂VB. The latter has 24 valence electrons and is a paramagnetic semimetal. Fe₂CrB is predicted to be half-metals at equilibrium lattice constant. The spin polarization of Fe₂MnB is also quite high. The calculated total moments are 1.00 μ_B for Fe₂CrB and 2.04 μ_B for Fe₂MnB. In Fe₂CrB and Fe₂MnB, the total moments are mainly determined by the partial moment of Cr or Mn. The Fe moment is relatively small and antiparallel to that of Cr or Mn. Under uniform lattice distortion, the half-metallicity of Fe₂CrB is more stable than Fe₂MnB, which is related to the detailed DOS structure of them near E_F.     

Interface-induced states with an incommensurate spin-density wave in Fe/Cr-type multilayers

A model is proposed for magnetic ordering in Fe/Cr-type multilayers substantially above the Néel temperature of bulk chromium. Redistribution of the charge (and, hence, spin) density near the Fe/Cr interfaces gives rise to the formation of an essentially inhomogeneous spin-density-wave (SDW) state in the chromium spacer. The spatial structure of the antiferromagnetic order parameter in thick spacers is described. The SDW contribution to the effective exchange coupling between the moments in adjacent iron layers is calculated. The data obtained are used in the interpretation of experimental data on the tunneling spectroscopy of trilayers and neutron diffraction from Fe/Cr superlattices.