Induced spin polarization of copper spin 1/2 molecular layers

Thin films of the metal organic molecule bis(4-cyano-2,2,6,6-tetramethyl-3,5-heptanedionato)copper(II) (or Cu(CNdpm)₂), (C₂₄H₃₆N₂O₄Cu, Cu(II)), deposited on ferromagnetic Co(111) at 40 K, exhibit a finite electron spin polarization. The spin polarization magnitude and sign for Cu(CNdpm)₂ deposited on Co(111) is coverage dependent, but deviates from the mean field expectations for a simple paramagnet on a ferromagnetic substrate. The spin asymmetry is seen to favor select molecular orbitals, consistent with the predicted single molecule density of states. The overlayer polarization observed indicates a strong influence of the ferromagnetic Co(111) substrate and some extra-molecular magnetic coupling.     

Ferromagnetism in γ-iron

F.c.c. γ-Fe(111)-films, prepared by epitaxial growth in UHV on Cu(111), are ferromagnetic. The spontaneous magnetization was determined as 0.58 ± 0.13 μ_B/atom. This is independent of film thickness (up to 80 Å) and applies both for island-films and for layer-grown films. The Curie-temperature for bulk material was estimated to T_c(∞) = 900 ± 300 K. The apparent contradiction to antiferromagnetism in γ-Fe-precipitates is explained by different lattice parameters.     

Magnetic properties of (111) Cu/Fe multilayers

The magnetic properties of (111) Cu/Fe multilayers grown on Cu underlayers of several thickness (2000-500-50 Å) on cleaved mica have been investigated by Mössbauer spectroscopy and SQUID magnetometry. The analysis of experimental results suggests that 2.5 monolayers of ψ-Fe interfaced with Cu evolves partially from paramagnetic to ferromagnetic states as the Cu underlayer thickness is reduced to 50 Å and partially from weak to strong antiferromagnetism.     

Antiferromagnetic coupling between Co/Ni multilayers with perpendicular magnetization across MBE-grown Cu(111) layers

A cleat oscillatory exchange coupling has been observed for an epitaxial (111) M₁/Cu/M₂ structure, grown by Molecular Beam Epitaxy (MBE) on a single crystal Cu(111) substrate. The magnetic layers M₁ and M₂ were designed to have perpendicular easy axis by using Co/Ni multilayers. The Cu layer was deposited in the form of a wedge. The magneto-optically measured hysteresis loops show, in the case of antiferromagnetic (AF) coupling, clear first-order spin-flip transitions between the saturated and antiparallel states. Signatures of a ferromagnetic or biquadratic component, observed earlier in loops of an AF coupled Co/Cu/Co(111) sandwich, were absent in the present loops. The absence of these signatures is believed to be a consequence of the relatively strong (perpendicular) uniaxial anisotropy of the present samples.     

"Live" surface ferromagnetism in Fe nanodots/Cu multilayers on Cu(111)

We investigate the crossover behavior from two-dimensional (2D) to three-dimensional in multilayers of magnetic nanodots grown by stacking 2D Fe nanodot assemblies on Cu(111) single crystal substrate with a Cu spacing layer. Using an in situ magneto-optical Kerr effect, we have observed a striking ferromagnetic to spin-glass-like phase transition with an increasing number of Fe dot layers. The topmost layer of the Fe dots survives the phase transition and remains ferromagnetic. This unusual surface ferromagnetism is likely caused by a surface-state-mediated coupling which is stronger than the coupling in bulk layers. This is confirmed by the fact that the critical temperature of the surface ferromagnetism is considerably higher than that of the bulk spin-glass phase in the system.     

Two-site Kondo effect in atomic chains

Linear CoCu(n)Co clusters on Cu(111) fabricated by atomic manipulation represent a two-site Kondo system with tunable interaction. Scanning tunneling spectroscopy reveals oscillations of the Kondo temperature T(K) with the number n of Cu atoms for n≥3. Density functional calculations show that the Ruderman-Kittel-Kasuya-Yosida interaction mediated by the Cu chains causes the oscillations. Calculations find ferromagnetic and antiferromagnetic interaction for n=1 and 2, respectively. Both interactions lead to a decrease of T(K) as experimentally observed.     

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     

Magnetization and magnetic aftereffect in textured Ni/Cu compositionally-modulated alloys

The magnetic properties of Ni/Cu compositionally-modulated alloys with [100], [110] and [111] textures were measured by magnetometry and ferromagnetic resonance. These alloys were found to exhibit a pronounced magnetic aftereffect.     

Susceptibility maxima in weakly ferromagnetic NiCu alloys

The a.c. susceptibility of weakly ferromagnetic NiCu alloys displays a sharp peak which is associated with a large anisotropy of spin clusters and is thought to signal the transition to a state of complex magnetic order.     

不同过渡层上Co/Cu/Co三明治结构的巨磁电阻效应研究

通过对不同过渡层上Co(5.5nm)/Cu(3.5nm)/Co(5.5nm)三明治结构的研究,发现过渡层的磁性及过渡层诱导的三明治晶格结构对材料的巨磁电阻效应有重要影响.反铁磁Cr过渡层由于和相邻铁磁Co层之间存在着反铁磁耦合,可以获得6％以上的巨磁电阻值,但它同时使材料的矫顽力较大,因此磁灵敏度不高.Ni和Ti过渡层上Co/Cu/Co三明治结构,由于形成了强的（111）织构,其巨磁电阻值也达到5％以上.磁性材料Ni过度层还使三明治结构材料的矫顽力大为下降,从而显著提高了材料的磁灵敏度. 关键词：     

Effect of the stoichiometry on the electronic structure of the Ni（111）/α-Al2O3（0001） interface： a first-principles investigation

In this paper first-principles calculations of Ni（111）/α-Al2O3（0001） interfaces have been performed, and are compared with the preceding results of the Cu （111）/α-Al2O3（0001） interface [2004 Phil. Mag. Left. 84 425]. The AI- terminated and O-terminated interfaces have quite different adhesion mechanisms, which are similar to the Cu（111）/α Al2O3（0001） interface. For the O-terminated interface, the adhesion is caused by the strong O-2p/Ni-3d orbital hybridization and ionic interactions. On the other hand, the adhesion nature of the Al-terminated interface is the image-like electrostatic and Ni-Al hybridization interactions, the latter is substantial and cannot be neglected. Charge transfer occurs from Al2O3 to Ni, which is opposite to that in the O=terminated interface. The charge transfer direction for the Al-terminated and O-terminated Ni（111）/α-A1203（0001） interfaces is similar to that in the corresponding Cu（111）/α- Al2O3（0001） interface, but there exist the larger charge transfer quantity and consequent stronger adhesion nature, respectively.     

Spin-resolved electronic structure of nanoscale cobalt islands on Cu(111)

Using spin-polarized scanning tunneling spectroscopy, we reveal how the standing wave patterns of confined surface state electrons on top of nanometer-scale ferromagnetic Co islands on Cu(111) are affected by the spin character of the responsible state, thus experimentally confirming a very recent theoretical result. Furthermore, at the rim of the islands a spin-polarized state is found giving rise to enhanced zero bias conductance. Its polarization is opposite to that of the islands. The experimental findings are in accordance with ab initio spin-density calculations.     

Surface electronic structure of the Cu(111)/Na adsorption system

An ab initio calculation of the surface electronic structure of the Cu(111)/Na adsorption is presented. The results are consistent with (a) the bulk Cu band structure, (b) the known properties of the clean Cu(111) surface and (c) the extremely narrow and intense photoemission peak observed at E_F for adsorbed Na.     

用改进嵌入原子法计算Cu晶体的表面能

用改进嵌入原子法(MEAM)计算了Cu晶体12个晶面的表面能.结果表明，密排面(111)的表面能最小.其他晶面的表面能随其晶面与(111)晶面夹角的增加而增加，据此可以粗略地估计各晶面表面能的相对大小.给出的几何结构因子的确定方法及结果可以直接用于计算其他面心立方晶体的表面能及其他特性.在Cu,Ag等面心立方薄膜中出现(111)择优取向或织构的机理是表面能的最小化. 关键词： 改进嵌入原子法 铜 表面能 计算     

Reentrant superconductivity in Nb/Cu1-xNix bilayers

We report on the first observation of a pronounced reentrant superconductivity phenomenon in a superconductor/ferromagnet layered system. The results were obtained using a superconductor/ferromagnetic-alloy bilayer of Nb/Cu(1-x)Ni(x). The superconducting transition temperature T(c) drops sharply with increasing thickness dCuNi) of the ferromagnetic layer, until complete suppression of superconductivity is observed at d(CuNi) approximately equal to 4 nm. Increasing the Cu(1-x)Ni(x) layer thickness further, superconductivity reappears at d(CuNi) > or =13 nm. Our experiments give evidence for the pairing function oscillations associated with a realization of the quasi-one-dimensional Fulde-Ferrell-Larkin-Ovchinnikov-like state in the ferromagnetic layer.     

Magnetization-orientation dependence of the superconducting transition temperature in the ferromagnet-superconductor-ferromagnet system: CuNi/Nb/CuNi

The superconducting critical temperature (T(c)) of ferromagnet-superconductor-ferromagnet systems has been predicted to exhibit a dependence on the magnetization orientation of the ferromagnetic layers such that T(AP)(c)>T(P)(c) for parallel (P) and antiparallel (AP) configurations of the two ferromagnetic layers. We have grown CuNi/Nb/CuNi films via magnetron sputtering and confirmed the theoretical prediction by measuring the resistance of the system as a function of temperature and magnetic field. We find an approximately 25% resistance drop occurs near T(c) in Cu0.47Ni0.53(5 nm)/Nb(18)/CuNi(5) when the two CuNi layers change their magnetization directions from parallel to antiparallel, whereas there is no corresponding resistance change in the normal state.     

Self-consistent semi-relativistic energy band structure of fcc and tetragonal Ni metal

The electronic structure of paramagnetic and ferromagnetic fcc Ni and tetragonal Ni has been determined by means of self-consistent semi-relativistic linear muffin-tin orbital (LMTO) energy band studies. The paramagnetic studies used the local density exchange-correlation potential of Hedin et al. whereas the ferromagnetic spin-polarized calculations used the local spin-density exchange-correlation potential of Gunnarson et al. The magnetic moments (0.54 μ_B), magnetization density, Fermi contact hyperfine fields and Fermi surface areas are found to agree with experiment and with other theoretical calculations, notably those of Wang and Callaway. For tetragonal Ni, distorted along the [111] direction similar to the local strain of Ni layers between Cu layers in modulated structures, the magnetic moment (0.46 μ_B) and resultant hyperfine fields are reduced substantially from that determined for fcc Ni.     

Manifestation of work function difference in high order Gundlach oscillation

Gundlach oscillation (or the standing-wave state) is a general phenomenon manifesting in the tunneling spectrum acquired from a metal surface using scanning tunneling spectroscopy. Previous studies relate the energy shift between peaks of the lowest-order Gundlach oscillation observed on the thin film and the metal substrate to the difference in their work functions. By observing Gundlach oscillations on Ag/Au(111), Ag/Cu(111), and Co/Cu(111) systems, we demonstrate that the work function difference is not the energy shift of the lowest order but the ones of higher order where a constant energy shift exhibits. Higher order Gundlach oscillations can thus be applied to determine the work function of thin metal films precisely.     

The synthesis of methanol and the reverse water-gas shift reaction over Zn-deposited Cu(100) and Cu(110) surfaces: comparison with Zn/Cu(111)

The catalytic activity of Zn vapor-deposited Cu(100) and Cu(110) surfaces for methanol synthesis by the hydrogenation of CO₂ and the reverse water-gas shift reaction were studied using an XPS apparatus combined with a high-pressure flow reactor (18 atm). At a reaction temperature of 523 K, no promotional effect of Zn was observed for the methanol synthesis on both Zn/Cu(100) and Zn/Cu(110). The results were quite different from those for Zn/Cu(111), on which a significant promotion of methanol synthesis activity appeared to be due to the deposition of Zn, indicating that the promotional effect of Zn was sensitive to the surface structure of Cu. However, hysteresis was observed in the catalytic activity for methanol synthesis over the Zn/Cu(110) surface upon heating above 543 K in the reaction mixture. The activity became twice that measured before heating, which was close to the methanol synthesis activity of Zn/Cu(111) at the same Zn coverage. On the other hand, no such hysteresis was observed for the reverse water-gas shift reaction on Zn/Cu(110), indicating that the active site for methanol synthesis was not identical to that for the reverse water-gas shift reaction. In the post-reaction surface analysis, formate species was detected on both Zn/Cu(100) and Zn/Cu(110), whose coverage increased with increasing Zn coverage at 0<Θ_Zn<0.2. No correlation between the formate coverage and the methanol synthesis activity was obtained, which was in contrast to the results for Zn/Cu(111). Thus, the structure sensitivity observed in the catalytic activity of methanol synthesis over Zn-deposited Cu surfaces is ascribed to the significant difference in the reactivity of the formate intermediate.     

Itinerant Magnets on a Triangular Cu(111) Lattice

We investigate complex spin structures of frustrated two-dimensional Cr, Mn, and Fe monolayer magnets on a triangular lattice provided by the Cu(111) substrate. First we establish a zero-temperature phase diagram of possible spin structures on the basis of the classical Heisenberg model up to the third-nearest neighbor exchange interaction. Second we carried out first-principles total energy calculations on the basis of the vector-spin density formulation of the density functional theory using the full potential linearized augmented plane wave (FLAPW) method in film geometry for a set of complex non-collinear spin structures. We found, the ground state of Fe is ferromagnetic, Cr exhibits a coplanar, two-dimensional non-collinear 120 Néel state and Mn a three-dimensional non-collinear ground state, the 3Q-state. Incommensurate spin-spiral states are expected for a FeMn alloy on Cu(111). We employ the constrained local moment method to estimate the exchange parameters of the model Hamiltonians. We show that for Mn higher-order spin interactions are the origin of the 3Q-state for Mn. The combination of ab initio calculations and model Hamiltonians provides a powerful tool to investigate the magnetic structures of complex magnetic systems.