Tunable in-plane spin orientation in Fe/Si(557) film by step-induced competing magnetic anisotropies

Although the spin-reorientation transition from out-of-plane to in-plane in Fe/Si film is widely reported, the tuning of in-plane spin orientation is not yet well developed. Here, we report the thickness-, temperature- and Cu-adsorptioninduced in-plane spin-reorientation transition processes in Fe/Si(557) film, which can be attributed to the coexistence of two competing step-induced uniaxial magnetic anisotropies, i.e., surface magnetic anisotropy with magnetization easy axis perpendicular to the step and volume magnetic anisotropy with magnetization easy axis parallel to the step. For Fe film thickness smaller than 32 monolayer(ML), the magnitudes of two effects under various temperatures are extracted from the thickness dependence of uniaxial magnetic anisotropy. For Fe film thickness larger than 32 ML, the deviation of experimental results from fitting results is understood by the strain-relief-induced reduction of volume magnetic anisotropy.Additionally, the surface and volume magnetic anisotropies are both greatly reduced after covering Cu capping layer on Fe/Si(557) film while no significant influence of Na Cl capping layer on step-induced magnetic anisotropies is observed.The experimental results reported here provide various practical methods for manipulating in-plane spin orientation of Fe/Si films and improve the understanding of step-induced magnetic anisotropies.     

Morphology, optical and electrical properties of Cu-Ni nanoparticles in a-C:H prepared by co-deposition of RF-sputtering and RF-PECVD

We report optical and electrical properties of Cu-Ni nanoparticles in hydrogenated amorphous carbon (Cu-Ni NPs @ a-C:H) with different surface morphology. Ni NPs with layer thicknesses of 5, 10 and 15 nm over Cu NPs @ a-C:H were prepared by co-deposition of RF-sputtering and RF-Plasma Enhanced Chemical Vapor Deposition (RF-PECVD) from acetylene gas and Cu and Ni targets. A nonmetal-metal transition was observed as the thickness of Ni over layer increases. The surface morphology of the sample was described by a two dimensional (2D) Gaussian self-affine fractal, except the sample with 10 nm thickness of Ni over layer, which is in the nonmetal-metal transition region. X-ray diffraction profile indicates that Cu NPs and Ni NPs with fcc crystalline structure are formed in these films. Localized Surface Plasmon Resonance (LSPR) peak of Cu NPs is observed around 600 nm in visible spectra, which is widen and shifted to lower wavelengths as the thickness of Ni over layer increases. The variation of LSPR peak width correlates with conductivity variation of these bilayers. We assign both effects to surface electron delocalization of Cu NPs.     

The role of HH interactions in the formation of ordered structures on Ni and Pd single crystals

The interaction between H adatoms on a surface is calculated within the embedded cluster model of chemisorption. The model is first applied to the case of two H atoms on a free electron surface. The interaction energy is found to be an oscillatory function of the H-H separation R_ab. Application of the free electron model to the problem of chemisorption on transition metal surfaces leads to unphysical results with the prediction of formation of ordered H overlayers which are not observed in LEED experiments. We next include the l = 2 TM muffin tins. Results for H adsorption on the low index faces of Ni and Pd substrates are presented. Graphitic structures are predicted for the (111) faces of both Ni and Pd with the H atoms occupying both types of three-fold hollow sites on the surface. This agrees with the results of LEED experiments for H/Ni(111). Comparison with experiment is not possible in the case of H/Pd(111) owing to the lack of low temperature studies for that system. Zig-zag chains with the H atoms adsorbed in sites of three-fold coordination on alternate sides of the TM(110) rows are predicted for both Ni and Pd. This is in agreement with the results of He diffraction experiments for H/Ni(110). No structure determination has been done for H/Pd(110). Adsorption in the four-fold centre sites for H on the (100) faces of Ni and Pd is found to be unfavourable. The H atoms are expected to adsorb in sites of three-fold symmetry below the (100) surface for H on Pd with formation of a c(2 × 2) structure in agreement with the LEED observations. For H/Ni(100) the H atoms are believed to adsorb above the surface, away from the centre site and to bond to two surface Ni atoms. No short-range ordered structures are predicted in this case.     

Continuous spin-reorientation phase transition in the surface region of an inhomogeneous magnetic film

A continuous spin-reorientation transition from a uniform magnetic state with the in-plane orientation of the moments of all atomic layers to a nonuniform canted state in the surface region is considered. This transition was discovered in experiments on the divergence of magnetic susceptibility in a perpendicular magnetic field at a temperature of about 240 K, which is lower than the Curie point of gadolinium, equal to 292.5 K. These experiments were carried out on an ultrathin iron magnetic film deposited on the (0001) surface of a thin gadolinium film. It is shown that, in the vicinity of the spin-reorientation transition, the thermodynamic potential has a form characteristic of the Landau theory of second-order phase transitions. The orientation angle of the moment of the surface atomic layer with respect to the plane of the film, which is chosen as an order parameter, exhibits anomalous behavior and increases with temperature. Expressions are derived for the magnetic susceptibility of each atomic layer. It is shown that, in the vicinity of the transition, the irregular part of the magnetic susceptibility of each atomic layer exhibits behavior characteristic of the susceptibility in the Landau theory: it is less by a factor of two in the low-symmetry phase and diverges at the transition point. The regular part of the magnetic susceptibility of each atomic layer makes an additional contribution to the asymmetry of the total susceptibility in the vicinity of the transition point; this result follows from the fact that the inhomogeneous magnetic system considered is semi-infinite.     

Coverage Dependence of Growth Mode in Heteroepitaxy of Ni on Cu(100) Surface

A realistic kinetic Monte Carlo (KMC) simulation model with physical parameters is developed, which well reproduces the heteroepitaxial growth of multilayered Ni thin film on Cu(100) surfaces at room temperature. The effects of mass transport between interlayers and edge diffusion of atoms along the islands are included in the simulation model, and the surface roughness and the layer distribution versus total coverage are calculated. Specially, the simulation model reveals the transition of growth mode with coverage and the difference between the Ni heteroepitaxy on Cu(100) and the Ni homoepitaxy on Ni(100). Through comparison of KMC simulation with the real scanning tunneling microscopy (STM) experiments, the Ehrlich-Schwoebel (ES) barrier E_es is estimated to be 0.18±0.02 eV for Ni/Cu(100) system while 0.28 eV for Ni/Ni(100). The simulation also shows that the growth mode depends strongly on the thickness of thin film and the surface temperature, and the critical thickness of growth mode transition is dependent on the growth condition such as surface temperature and deposition flux as well.     

On the reorientation transition in Cu(100)/Ni n /H

Using the results of a previous study in terms of the scalar-relativistic full- potential linearized augmented-plane-wave method, the fully relativistic screened Korringa-Kohn-Rostoker approach is applied in order to describe the shift in the critical thickness for the so-called inverse reorientation transition from in plane to perpendicular in Ni films on Cu(100) upon loading with H. It is argued that, on average, by loading with H the interlayer distances in the Ni films would have to be reduced by about 3% or, expressed in absolute distances by about 0.05 A, compared with the bare systems, to cause the critical thickness to decrease from about 10 monolayers (ML) for the bare systems to about 8ML for completely H-covered Ni films. Calculations with statistically partial coverages with H and for a complete diffusion of H in the first Ni layer convincingly support this view.     

低温制备微晶硅薄膜生长机制的研究

采用热丝化学气相沉积技术制备了一系列处于不同生长阶段的薄膜样品，用原子力显微镜系 统地研究生长在单晶硅衬底和玻璃衬底上薄膜表面形貌的演化.按照分形理论分析得到：在 玻璃衬底上的硅薄膜以零扩散随机生长模式生长；而在单晶硅衬底上，薄膜早期以有限扩散 生长模式生长，当膜厚超过某一临界厚度时转变为零扩散随机生长模式.岛面密度与膜厚的 依赖关系表明，在临界厚度时硅衬底和玻璃衬底上的岛面密度均出现了极大值.Raman谱的测 量证实，玻璃衬底上薄膜临界厚度与非晶/微晶相变之间存在密切的关系.不同的衬底材料直 接影响反应 关键词： 生长机制 微晶硅薄膜 表面形貌 热丝化学气相沉积     

Study of the magnetism and the magnetic anisotropy of Fe layers in Ni/Fe/Ni(1 1 1) by Mössbauer spectroscopy

The hyperfine field and the magnetic anisotropy of a Fe layer as a function of thickness have been investigated in several Ni/⁵⁷Fe_x/Ni(1 1 1) trilayers with relatively thick Ni layers by Mössbauer spectroscopy. For Fe layers with thickness below 16 Å, the Mössbauer spectra show always the presence of two ferromagnetic phases with high-spin state. In the range between 6 and 8 Å, also a ferromagnetic phase with low-spin state and a paramagnetic phase have been found. The evolution of the mean hyperfine field of the ⁵⁷Fe nuclei is used to study the Fe growth. A structural FCCBCC phase transition is found to begin with an iron thickness of 8 Å. The easy direction of the magnetization is found out-of-plane for Fe interlayer with FCC structure, and perfectly in plane for Fe interlayer with BCC structure.     

Structure and temperature dependence of the magnetization of the DyFe<Subscript>11</Subscript>Ti nanocrystalline compound

The coercive force, the temperature dependence of the magnetization, and the structure of a DyFeTi alloy based on the DyFe₁₁Ti compound with an excess content of α-Fe in the initial coarse-grained, nanocrystalline, and submicrocrystalline states are investigated experimentally. It is found that, in the submicrocrystalline sample, the coercive force is three times stronger and the temperature of the first spin-reorientation transition is 20 K higher than those in the coarse-grained sample. In the nanocrystalline sample, the coercive force is five times stronger than that in the coarse-grained sample, the first spin-reorientation transition is not revealed, and the transition at the Curie temperature is smeared. It is demonstrated that the changes observed in the magnetic properties are unrelated to the phase transformations but stem from the small size of crystal grains and high imperfection of the structure. The thermal instability of the DyFe₁₁Ti compound is observed in submicrocrystalline and nanocrystalline states.     

Step-induced canting of magnetization in Fe/Ag superlattices

We have investigated the reorientation of the easy axis of magnetization in (0 0 1) Fe/Ag superlattices using vibrating sample magnetometry, Mössbauer spectroscopy and nuclear resonance scattering of synchrotron radiation. Clear evidence is found that the Fe-layer magnetization can be oriented considerably out of the plane of the sample at room temperature, even for Fe-layer thicker than 6 ML at which the spin-reorientation transition usually occurs in Fe/Ag. The spin canting is attributed to frustration and a strong contribution of a step-induced anisotropy.     

Pressure induced spin-reorientation transition in FeBO3

Abstract

It was found out by means of neutron diffraction that “easy plain - easy axis” spin-reorientation transition takes place in FeBO₃ under quasihydrostatic pressure of approximately 17 kbar at room temperature. This is a pressure analog of the Morin transition in hematite.     

Depth-dependent fct to fcc strain relaxation in CoxNi1−x/Cu3Au(1 0 0) alloy films

Co_xNi_1−x/Cu₃Au(1 0 0) with x ? 11% was prepared at room temperature to study the strain relaxation and their correlation with the spin-reorientation transition. The vertical interlayer distance relaxed from 1.66 Å (fct) to 1.76 Å (fcc) while the thickness increased from 8 ML to 18 ML. Such rapid strain relaxation with thickness was attributed to the larger lattice mismatch between Co_xNi_1−x and Cu₃Au(1 0 0) (η ∼ −6.5%). The smooth change for crystalline structure was observed during strain relaxation process in which the crystalline structure seems irrespective of the alloy composition. To explain the strain relaxation, a phenomenological model was proposed. We provide a physical picture that the deeper layers may not relax while the surface layer start to relax. This assumption is based on the several experimental studies. Using the strain averaged from all layers of thin film as the volume strain of magneto-elastic anisotropy energy, the interrelation between strain relaxation and spin reorientation transition can be well described in a Néel type magneto-elastic model.     

Impact of Al addition on the formation of Ni germanosilicide layers under different temperature annealing

Solid reactions between Ni and relaxed Si_0.7Ge_0.3 substrate were systematically investigated with different Al interlayer thicknesses. The morphology, composition, and micro-structure of the Ni germanosilicide layers were analyzed with different annealing temperatures in the appearance of Al. The germanosilicide layers were characterized by Rutherford backscattering spectrometry, cross-section transmission electron microscopy, scan transmission electron microscopy, and secondary ion mass spectroscopy. It was shown that the incorporation of Al improved the surface and interface morphology of the germanosilicide layers, enhanced the thermal stabilities, and retarded the Ni-rich germanosilicide phase to mono germanosilicide phase. With increasing annealing temperature, Al atoms distributed from the Ni/Si_0.7Ge_0.3 interface to the total layer of Ni₂Si_0.7Ge_0.3, and finally accumulated at the surface of NiSi_0.7Ge_0.3. We found that under the assistance of Al atoms, the best quality Ni germanosilicide layer was achieved by annealing at 700 ℃ in the case of 3 nm Al.     

Ni+与CH3CH2CH2NH2反应机理的理论研究

用密度泛函方法在UB3LYP/6-311G++(d,p)理论水平上研究了Ni+在基态与CH3CH2CH2NH2的反应机理,全参数优化了[Ni,C3,N,H9]+基态势能面上各驻点的几何构型,并用频率分析方法和内禀反应坐标（IRC）方法对过渡态进行了验证。结果表明第一过渡金属离子Ni+与CH3CH2CH2NH2的反应为插入-消去机理,并计算找到了基态下该反应的最有利通道。     

Adsorption of SH and OH and coadsorption of S, O and H on Ni(111)

The adsorption of SH and OH radicals on Ni(111) is treated using an ab initio embedding theory. The Ni(111) surface is modeled as a three-layer, 28-atom cluster with the Ni atoms fixed at bulk lattice sites. The Ni(111) energy surface is very flat for SH adsorption if the H tilt angle is allowed to vary. At both atop and bridge sites, the S---H axis is tilted away from the surface normal by 70°, resulting in the sulfur atom being sp³-hybridized and the adsorption energy being 59 kcal mol⁻¹. For SH at the three-fold site, the S---H axis is normal to the surface, the sulfur is sp-hybridized, and the adsorption energy is 58 kcal mol⁻¹. OH is preferentially adsorbed at the three-fold site. The calculated adsorption energy is 90 kcal mol⁻¹ and the O---H axis is perpendicular to the surface. OH adsorption at the atop and bridge sites is 16 and 5 kcal mol⁻¹ less stable than at the three-fold site, respectively. Atomic H, O and S are preferentially adsorbed at the three-fold site. The calculated adsorption energies are 62, 92 and 87 kcal mol⁻¹, for H, O and S, respectively. The calculated adsorbate---Ni bond distances of 1.86 Å for H, 1.86 Å for O and 2.29 Å for S are in good agreement with experimental data. SH and OH bonding to the surface involves a combination of ionic and covalent contributions and substantial mixing with the Ni 3d orbitals. Dipole-moment calculations indicate strong ionic bonding for the atomic O/Ni system and ionic plus covalent character for the atomic S/Ni interactions. Adsorption of S and O at the three-fold site blocks H adsorption at the nearby surface. Moving H away from the S or O adatom reduces the repulsion. The dissociation of SH_ad → S_ad + H_ad is calculated to be exothermic by 5 kcal mol⁻¹ and OH_ad → O_ad + H_ad to be endothermic by 30 kcal mol⁻¹ for infinite separation between S, O and H.     

Hydrogen adsorption on metal surfaces

Extensive calculations of the ground state properties of hydrogen chemisorbed on transition metal surfaces are presented. The calculations are performed using the effective medium theory. The results for the chemisorption energies on all the 3d, 4d and 5d metals presented are in good agreement with experiment. The trends along a particular row are shown to be dominated by the degree of filling of the d band. The full adiabatic potential energy surface is presented for a number of experimentally interesting systems, including H/Ni(111), H/Ni(110), H/W(100) and H/W(110). Equilibrium sites, bond lengths, vibrational frequencies and surface diffusion energies are deduced and compared with experiment. Again, agreement is good. The surface and adsorbate parameters determining those observables are discussed. It is shown that a simple canonical relationship exists between the perpendicular vibrational frequency and the metal-hydrogen bond length. This formulation, which is not based on pair potentials, should be useful as a first estimate of bond lengths from measured vibrational data.     

Specific features in thermal expansion of <Emphasis Type="Italic">R</Emphasis>Fe<Subscript>11</Subscript>Ti single crystals

Thermal expansion and its anomalies in the vicinity of spin-reorientation phase transitions in single crystals of RFe₁₁Ti (R=Y, Tb, Dy, Ho, and Er) compounds are investigated by the tensometric technique in the temperature range 77–400 K. The temperature dependences of the thermal expansion coefficient α(T) are obtained. It is found that the YFe₁₁Ti and HoFe₁₁Ti uniaxial magnetic materials exhibit pronounced anomalies in the α coefficient at T=200 and 290 K. For the TbFe₁₁Ti single crystal, the α coefficient is close to zero in the vicinity of the spin-reorientation phase transition (at T=325 K). For the DyFe₁₁Ti single crystal, which is characterized by two spin-reorientation phase transitions (at T=120 and 250 K), no features in the α(T) dependence are revealed in the region of the low-temperature spin-reorientation phase transition. In the ErFe₁₁Ti single crystal, the specific feature of thermal expansion is observed at T ～ 220 K.     

Simulation of spin reorientation in cubic ferromagnets with defects

Nucleation processes in spin-reorientation phase transitions in real magnets are studied theoretically. The magnetization distribution corresponding to zero-degree domain wall forms the basis of the model representation of nuclei of the new phase, which are pinned at detects. As a result of numerical implementation of the corresponding variational problem for a finite-thickness plate, stable states of such magnetic inhomogeneities are determined and it is shown that their structure and properties are mainly controlled by parameters of a defect and the Q factor of the sample. The dependences obtained in this way make it possible to describe the behavior of new-phase nuclei in the vicinity of the spin-reorientation phase transition, which is in qualitative agreement with experimental data.     

M?ssbauer spectroscopic study of spin reorientation in Mn-substituted yttrium orthoferrite

The first-order spin-reorientation transition in the Mn-substituted yttrium orthoferrites, YFe(1-x)Mn(x)O(3) (x = 0.1, 0.15 and 0.2), has been investigated using (57)Fe M?ssbauer spectroscopy. Owing to its large anisotropy, substitution of Mn(3+) ions in YFeO(3) induces a spin-reorientation transition from the low-temperature antiferromagnetic state to a high-temperature weak ferromagnetic state. With increasing x, the spin-reorientation transition temperature (T(SR)) increases whereas the Néel temperature (T(N)) decreases. Analysis of the M?ssbauer spectra unambiguously confirms the occurrence of spin reorientation relative to crystal axes. At a given temperature, the mean hyperfine field decreases with the increasing Mn concentration. The variation of canting angle with temperature for YFe(0.85)Mn(0.15)O(3) has been estimated.     

Effect of magnetic field on the TC and magnetic properties for the aligned MnBi compound

In the compound MnBi, a first-order transition from the paramagnetic to the ferromagnetic state can be triggered by an applied magnetic field and the Curie temperature increases nearly linearly with an increase in magnetic field by ∼2 K/T. Under a field of 10 T, T_C increases by 20 and 22 K during heating and cooling, respectively. Under certain conditions a reversible magnetic field or temperature induced transition between the paramagnetic and ferromagnetic states can occur. A magnetic and crystallographic H-T phase diagram for MnBi is given. Magnetic properties of MnBi compound aligned in a Bi matrix have been investigated. In the low temperature phase MnBi, a spin-reorientation takes place during which the magnetic moments rotate from being parallel to the c-axis towards the basal plane at ∼90 K. A measuring Dc magnetic field applied parallel to the c-axis of MnBi suppresses partly the spin-reorientation transition. Interestingly, the fabricated magnetic field increases the temperature of spin-reorientation transition T_s and the change in magnetization for MnBi. For the sample solidified under 0.5 T, the change in magnetization is ∼70% and T_s is ∼91 K.