The magnetic map of NiMn alloy thin films on Co(0 0 1) and Co(1 1 1)

Following the experimental work of Groudeva-Zotova et al. [S. Groudeva-Zotova, D. Elefant, R. Kaltofen, D. Tietjen, J. Thomas, V. Hoffmann, C.M. Schneider, J. Magn. Magn. Mater. 263 (2003) 57] where the magnetic and structural characteristics of a bi-layer NiMn-Co exchange biasing systems was investigated, density functional calculations with generalized gradient corrections were performed on (Mn_0.5Ni_0.5)_n ordered alloy on Co(0 0 1) and one Mn_1−xNi_x monolayer on Co(1 1 1). For the Mn_0.5Ni_0.5 monolayer on Co(0 0 1), magnetic moments per surface atom of 0.65 μ_B and 3.76 μ_B were obtained for Ni and Mn, respectively. Those magnetic moments are aligned parallel to the total moment of Co(0 0 1). A complex behavior of the Mn moment in dependence of the thickness “n” is obtained for (Mn_0.5Ni_0.5)_n on Co(0 0 1). Investigations on Mn_1−xNi_x monolayer on Co(1 1 1) have shown that the crystallographic orientation does not modify significantly neither the magnetic moments of Mn and Ni atoms nor their ferromagnetic coupling with the Co(1 1 1) substrate, except for x = 0.66. For x = 0.66 the Mn sub-lattice presents an antiferromagnetic coupling leading to a quenching of the Ni magnetic moment.     

Structural and magnetic properties of evaporated Fe thin films on Si(1 1 1), Si(1 0 0) and glass substrates

We present experimental results on the structural and magnetic properties of series of Fe thin films evaporated onto Si(1 1 1), Si(1 0 0) and glass substrates. The Fe thickness, t, ranges from 6 to110 nm. X-ray diffraction (XRD) and atomic force microscopy (AFM) have been used to study the structure and surface morphology of these films. The magnetic properties were investigated by means of the Brillouin light scattering (BLS) and magnetic force microscopy (MFM) techniques. The Fe films grow with (1 1 0) texture; as t increases, this (1 1 0) texture becomes weaker for Fe/Si, while for Fe/glass, the texture changes from (1 1 0) to (2 1 1). Grains are larger in Fe/Si than in Fe/glass. The effective magnetization, 4πM_eff, inferred from BLS was found to be lower than the 4πM_S bulk value. Stress induced anisotropy might be in part responsible for this difference. MFM images reveal stripe domain structure for the 110 nm thick Fe/Si(1 0 0) only.     

High resolution analysis of the rotational levels of the (0 0 0), (0 1 0), (1 0 0), (0 0 1), (0 2 0), (1 1 0) and (0 1 1) vibrational states of SO2

A high resolution (0.0018 cm⁻¹) Fourier transform instrument has been used to record the spectrum of an enriched ³⁴S (95.3%) sample of sulfur dioxide. A thorough analysis of the ν₂, 2ν₂ − ν₂, ν₁, ν₁ + ν₂ − ν₂, ν₃, ν₂ + ν₃ − ν₂, ν₁ + ν₂ and ν₂ + ν₃ bands has been carried out leading to a large set of assigned lines. From these lines ground state combination differences were obtained and fit together with the existing microwave, millimeter, and terahertz rotational lines. An improved set of ground state rotational constants were obtained. Next, the upper state rotational levels were fit. For the (0 1 0), (1 1 0) and (0 1 1) states, a simple Watson-type Hamiltonian sufficed. However, it was necessary to include explicitly interacting terms in the Hamiltonian matrix in order to fit the rotational levels of the (0 2 0), (1 0 0) and (1 0 1) states to within their experimental accuracy. More explicitly, it was necessary to use a ΔK = 2 term to model the Fermi interaction between the (0 2 0) and (1 0 0) levels and a ΔK = 3 term to model the Coriolis interaction between the (1 0 0) and (0 0 1) levels. Precise Hamiltonian constants were derived for the (0 0 0), (0 1 0), (1 0 0), (0 0 1), (0 2 0), (1 1 0) and (0 1 1) vibrational states.     

Epitaxial growth of Co(0 0 0 1)hcp/Fe(1 1 0)bcc magnetic bi-layer films on SrTiO3(1 1 1) substrates

Co(0 0 0 1)_hcp/Fe(1 1 0)_bcc epitaxial magnetic bi-layer films were successfully prepared on SrTiO₃(1 1 1) substrates. The crystallographic properties of Co/Fe epitaxial magnetic bi-layer films were investigated. Fe(1 1 0)_bcc soft magnetic layer grew epitaxially on SrTiO₃(1 1 1) substrate with two type variants, Nishiyama–Wasserman and Kurdjumov–Sachs relationships. An hcp-Co single-crystal layer is obtained on Ru(0 0 0 1)_hcp interlayer, while hcp-Co layer formed on Au(1 1 1)_fcc or Ag(1 1 1)_fcc interlayer is strained and may involve fcc-Co phase. It has been shown possible to prepare Co/Fe epitaxial magnetic bi-layer films which can be usable for patterned media application.     

Magnetization of epitaxial MnGe alloys on Ge(1 1 1) substrates

The structural and magnetic properties of an Mn rich solid phase epitaxy Mn_xGe_1−x alloy grown on a clean 2 × 8-Ge(1 1 1) surface, with a Curie temperature of about 300 K are investigated. Magneto-optical  Kerr effect infers the existence of in-plane easy magnetization direction. We describe the epitaxial registry condition, the room temperature—zero field magnetic structure observed by magnetic force microscopy and the magneto-optical properties. The observations are consistent with the formation of epitaxial Mn₅Ge₃ alloy, with a modulated magnetic structure characterized by asymmetric 180° Bloch walls consisting of a vortex-like configuration of the local magnetization.     

Four-fold magnetic anisotropy in a Co film on MgO(0 0 1)

The development of devices based on magnetic tunnel junctions has raised new interests on the structural and magnetic properties of the interface Co/MgO. In this context, we have grown ultrathin Co films (≤30 Å) by molecular-beam epitaxy on MgO(0 0 1) substrates kept at different temperatures (T_S). Their structural and magnetic properties were correlated and discussed in the context of distinct magnetic anisotropies for Co phases reported in the literature. The sample characterization has been done by reflection high energy electron diffraction, magneto-optical Kerr effect and ferromagnetic resonance. The main focus of the work is on a sample deposited at T_S=25 °C, as its particular way of growth has enabled a bct Co structure to settle on the substrate, where it is not normally obtained without specific seed layers. This sample presented the best crystallinity, softer magnetic properties and a four-fold in-plane magnetic anisotropy with Co〈1 1 0〉 easy directions. Concerning the samples prepared at T_S=200 and 500° C, they show fcc and polycrystalline structures, respectively and more intricate magnetic anisotropy patterns.     

CO2 adsorption on Cr(1 1 0) and Cr2O3(0 0 0 1)/Cr(1 1 0)

We attempt to correlate qualitatively the surface structure with the chemical activity for a metal surface, Cr(1 1 0), and one of its surface oxides, Cr₂O₃(0 0 0 1)/Cr(1 1 0). The kinetics and dynamics of CO₂ adsorption have been studied by low energy electron diffraction (LEED), Aug er electron spectroscopy (AES), and thermal desorption spectroscopy (TDS), as well as adsorption probability measurements conducted for impact energies of E_i = 0.1-1.1 eV and adsorption temperatures of T_s = 92-135 K. The Cr(1 1 0) surface is characterized by a square shaped LEED pattern, contamination free Cr AES, and a single dominant TDS peak (binding energy E_d = 33.3 kJ/mol, first order pre-exponential 1 × 10¹³ s⁻¹). The oxide exhibits a hexagonal shaped LEED pattern, Cr AES with an additional O-line, and two TDS peaks (E_d = 39.5 and 30.5 kJ/mol). The initial adsorption probability, S₀, is independent of T_s for both systems and decreases exponentially from 0.69 to 0.22 for Cr(1 1 0) with increasing E_i, with S₀ smaller by ∼0.15 for the surface oxide. The coverage dependence of the adsorption probability, S(Θ), at low E_i is approx. independent of coverage (Kisliuk-shape) and increases initially at large E_i with coverage (adsorbate-assisted adsorption). CO₂ physisorbs on both systems and the adsorption is non-activated and precursor mediated. Monte Carlo simulations (MCS) have been used to parameterize the beam scattering data. The coverage dependence of E_d has been obtained by means of a Redhead analysis of the TDS curves.     

The dehydrogenation of CH4 on Rh(1 1 1), Rh(1 1 0) and Rh(1 0 0) surfaces: A density functional theory study

CH₄ dehydrogenation on Rh(1 1 1), Rh(1 1 0) and Rh(1 0 0) surfaces has been investigated by using density functional theory (DFT) slab calculations. On the basis of energy analysis, the preferred adsorption sites of CH_x (x = 0-4) and H species on Rh(1 1 1), Rh(1 1 0) and Rh(1 0 0) surfaces are located, respectively. Then, the stable co-adsorption configurations of CH_x (x = 0-3) and H are obtained. Further, the kinetic results of CH₄ dehydrogenation show that on Rh(1 1 1) and Rh(1 0 0) surfaces, CH is the most abundant species for CH₄ dissociation; on Rh(1 1 0) surface, CH₂ is the most abundant species, our results suggest that Rh catalyst can resist the carbon deposition in the CH₄ dehydrogenation. Finally, results of thermodynamic and kinetic show that CH₄ dehydrogenation on Rh(1 0 0) surface is the most preferable reaction pathway in comparison with that on Rh(1 1 1) and Rh(1 1 0) surfaces.     

First-principles study on the half-metallicity of zinc-blende CrP(1 1 0) surface

We have investigated the half-metallicity and magnetism at the (1 1 0) surface of CrP by using the all-electron full-potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). From the calculated local density of states (LDOS), we found that the (1 1 0) surface of CrP preserves the half-metallicity, but the band gaps (∼1.1 eV) of the minority states for the surface Cr and P atoms are much reduced from the bulk value (∼1.9 eV). The magnetic moment of the P is coupled antiferromagnetically to that of the Cr. The magnetic moment of surface Cr atom is calculated to be 3.31μ_B which is increased by 10% compared to the bulk value, 3.00μ_B.     

Magnetic ordering of Vn/Mo(0 0 1) systems: Ab-initio calculations

A density-functional theory (DFT) study is performed using a full-potential linearized-augmented-plane-waves (FP-LAPW) method to investigate the magnetic structure of vanadium-molybdenum systems (V_n/Mo(0 0 1), n = 1, 2). The topmost V layers relax inward in both systems with a larger contraction in V₂/Mo(0 0 1) system. A p(1 × 1) in-plane ferromagnetic ordering with appreciable magnetic moments is obtained on V overlayers, which is found to be the ground state in both systems. The layers below the surface exhibit induced magnetism with antiferromagnetic interlayer coupling.     

Growth mode and electronic structure of Au nano-clusters on NiO(0 0 1) and TiO2(1 1 0)

The growth mode and electronic structure of Au nano-clusters grown on NiO and TiO₂ were analyzed by reflection high-energy electron diffraction, a field-emission type scanning electron microscope, medium energy ion scattering and photoelectron spectroscopy. Au was deposited on clean NiO(0 0 1)-1 × 1 and TiO₂(1 1 0)-1 × 1 surfaces at room temperature with a Knudsen cell at a rate of 0.25-0.35 ML/min (1 ML = 1.39 × 10¹⁵ atoms/cm²:Au(1 1 1)). Initially two-dimensional (2D) islands with thickness of one Au-atom layer grow epitaxially on NiO(0 0 1) and then neighboring 2D-islands link each other to form three-dimensional (3D)-islands with the c-axis oriented to the [1 1 1] direction. The critical size to form 3D-islands is estimated to be about 5 nm². The shape of the 3D-islands is well approximated by a partial sphere with a diameter d and height h ranging from 2.0 to 11.8 nm and from 0.95 to 4.2 nm, respectively for Au coverage from 0.13 to 4.6 ML. The valence band spectra show that the Au/NiO and Au/TiO₂ surfaces have metallic characters for Au coverage above 0.9 ML. We observed Au 4f spectra and found no binding energy shift for Au/NiO but significant higher binding energy shifts for Au/TiO₂ due to an electron charge transfer from Au to TiO₂. The work function of Au/NiO(0 0 1) gradually increases with increase in Au coverage from 4.4 eV (NiO(0 0 1)) to 5.36 eV (Au(1 1 1)). In contrast, a small Au deposition(0.15 to 1.5 ML) on TiO₂(1 1 0) leads to reduction of the work function, which is correlated with an electron charge transfer from Au to TiO₂ substrate.     

Analysis of the first triad of interacting states (0 2 0), (1 0 0), and (0 0 1) of D2O from hot emission spectra

The far-infrared and middle-infrared emission spectra of deuterated water vapour were measured at temperatures 1370, 1520, and 1940 K in the ranges 320-860 and 1750-3400 cm⁻¹. The measurements were performed in an alumina cell with an effective length of hot gas of about 50 cm. More than 3550 new measured lines for the D₂¹⁶O molecule corresponding to transitions from highly excited rotational levels of the (0 2 0), (1 0 0), and (0 0 1) vibrational states are reported. These new lines correspond to rotational states with higher values of the rotational quantum numbers compared to previously published determinations: J_max = 29 and K_a(max) = 22 for the (0 2 0) state, J_max = 29 and K_a(max) = 25 for the (1 0 0) state, and J_max = 30 and K_a(max) = 23 for the (0 0 1) state. The extended set of 1987 experimental rotational energy levels for the (0 2 0), (1 0 0), and (0 0 1) vibration states including all previously available data has been determined. For the data reduction we used the generating function model. The root mean square (RMS) deviation between observed and calculated values is 0.004 cm⁻¹ for 1952 rovibrational levels of all three vibration states. A comparison of the observed energy levels with the best available values from the literature and with the global predictions from molecular electronic potential energy surfaces of water isotopic species [H. Partridge, D.W. Schwenke, J. Chem. Phys. 106 (1997) 4618] is discussed. The latter confirms a good consistency of mass-dependent DBOC corrections in the PS potential function with new experimental rovibrational data.     

Soft X-ray appearance potential spectroscopy (SXAPS) study of TiO2(1 1 0)-1 × 2 and (0 0 1)-1 × 1 surfaces

A soft X-ray appearance potential spectroscopy (SXAPS) apparatus with high sensitivity was built to measure non-derivative spectra. SXAPS spectra (non-derivative) of Ti 2p and O 1s for TiO₂(1 1 0)-1 × 2 and (0 0 1)-1 × 1 surfaces have been measured using low incident currents (about 10 μA/cm²) and a photon counting mode. Density of empty states on Ti and O sites are deduced by self-deconvoluting the spectra. The self-deconvoluted SXAPS spectra are qualitatively similar to those measured by X-ray absorption spectroscopy (XAS). The Ti 2p_3/2 spectrum shows two strong peaks which correspond to t_2g and e_g states. For the O 1s spectrum two strong peaks near the threshold are also found which can be ascribed to O 2pπ and O 2pσ states. These results suggest that the spectra almost obey the dipole selection rule, so-called the “approximate dipole selection rule”. The SXAPS spectra of Ti 2p and O 1s for the (1 1 0) and (0 0 1) surfaces resemble qualitatively, which is consistent with the XAS results. The spectra measured on the (1 1 0)-1 × 2 surface at an incident angle of 45° off normal to the surface and on the (1 1 0) surface sputtered by Ar ions indicate that SXAPS is very sensitive to the surface electronic states.     

RAIRS studies of CO adsorption on Pd/CeO2−x(1 1 1)/Pt(1 1 1)

Reflection absorption infrared spectroscopy (RAIRS) has been used to investigate the adsorption of CO on CeO_2−x-supported Pd nanoparticles at room temperature. The results show that when CeO_2−x is initially grown on Pt(1 1 1), a small proportion of the surface remains as bare Pt sites. However, when Pd is deposited onto CeO_2−x/Pt(1 1 1), most of the Pd grows directly on top of the CeO_2−x(1 1 1). RAIR spectra of CO adsorption on 1 ML Pd/CeO_2−x/Pt(1 1 1) show a broad CO-Pd band, which is inconsistent with a single crystal Pd surface. However, the 5 ML and 10 ML Pd/CeO_2−x/Pt(1 1 1) spectra show vibrational bands consistent with the presence of Pd(1 1 1) and (1 0 0) faces, suggesting the growth of Pd nanostructures with well defined facets.     

CO adsorption on epitaxially grown Pt layers on Ru(0 0 0 1)

The adsorption of CO on epitaxially grown Pt films of variable thickness has been studied using infrared-absorption spectroscopy, scanning tunnelling microscopy and thermal desorption spectroscopy. Depending on the number of pseudomorphic Pt layers (N_Pt = 1-4) the internal and external CO stretching modes (ν_C-O and ν_Pt-CO, respectively) display characteristic frequency shifts due to the vanishing influence of the underlying Ru(0 0 0 1) substrate and Pt/Ru interface. For thicker layers (N_Pt ? 5) when this influence has become negligible, the compressive stress within the Pt film is gradually relieved, leading to a dislocation network. The structural heterogeneity during the ongoing relaxation process of the Pt film is reflected in the ν_C-O line shape; no line broadening is observed for either pseudomorphic or very thick films (N_Pt ? 15). For N_Pt ? 3 the adsorption of CO on Pt/Ru(0 0 0 1) films closely resembles CO on Pt(1 1 1), with residual deviations in line position and desorption temperatures gradually converging to zero.     

Low-frequency noise and inelastic tunneling spectroscopy in Fe(1 1 0)/MgO(1 1 1)/Fe(1 1 0) epitaxial magnetic tunnel junctions

We report on tunnelling magnetoresistance (TMR), current–voltage (IV) characteristics and low-frequency noise in epitaxially grown Fe(1 1 0)/MgO(1 1 1)/Fe(1 1 0) magnetic tunnel junctions (MTJs) with dimensions from 2×2 to 20×20 μm². The evaluated MgO energy barrier (0.50±0.08 eV), the barrier width (13.1±0.5 Å) as well as the resistance times area product (7±1 MΩ μm²) show relatively small variation, confirming a high quality epitaxy and uniformity of all MTJs studied. At low temperatures (T<10 K) inelastic electron tunneling spectroscopy (IETS) shows anomalies related to phonons (symmetric structures below 100 meV) and asymmetric features above 200 meV. We explain the asymmetric features in IETS as due to generation of electron standing waves in one of the Fe electrodes. The noise power, though exhibiting a large variation, was observed to be roughly anti-correlated with the TMR. Surprisingly, for the largest junctions we observed a strong enhancement of the normalized low-frequency noise in the antiparallel magnetic configuration. This behavior could be related to the influence of magnetostriction on the characteristics of the insulating barrier through changes in local barrier defects structure.     

Ruthenium adsorption and diffusion on the GaN(0 0 0 1) surface

We report first principles calculations to analyze the ruthenium adsorption and diffusion on GaN(0 0 0 1) surface in a 2×2geometry. The calculations were performed using the generalized gradient approximation (GGA) with ultrasoft pseudopotential within the density functional theory (DFT). The surface is modeled using the repeated slabs approach. To study the most favorable ruthenium adsorption model we considered T₁, T₄ and H₃ special sites. We find that the most energetically favorable structure corresponds to the Ru- T₄ model or the ruthenium adatom located at the T₄ site, while the ruthenium adsorption on top of a gallium atom (T₁ position) is totally unfavorable. The ruthenium diffusion on surface shows an energy barrier of 0.612 eV. The resultant reconstruction of the ruthenium adsorption on GaN(0 0 0 1)- 2×2 surface presents a lateral relaxation of some hundredth of Å in the most stable site. The comparison of the density of states and band structure of the GaN(0 0 0 1) surface without ruthenium adatom and with ruthenium adatom is analyzed in detail.     

Oxygen-induced p(3 × 1) reconstruction of the W(1 0 0) surface

The oxidation of the W(1 0 0) surface at elevated temperatures has been studied using room temperature STM and LEED. High exposure of the clean surface to O₂ at 1500 K followed by flash-annealing to 2300 K in UHV results in the formation of a novel p(3 × 1) reconstruction, which is imaged by STM as a missing-row structure on the surface. Upon further annealing in UHV, this surface develops a floreted LEED pattern characteristic of twinned microdomains of monoclinic WO_x, while maintaining the p(3 × 1) missing-row structure. Atomically resolved STM images of this surface show a complex domain structure with single and double W〈0 1 0〉 rows coexisting on the surface in different domains.     

SO2: High-resolution analysis of the (0 3 0), (1 0 1), (1 1 1), (0 0 2) and (2 0 1) vibrational states; determination of equilibrium rotational constants for sulfur dioxide and anharmonic vibrational constants

High resolution Fourier transform spectra of a sample of sulfur dioxide, enriched in ³⁴S (95.3%). were completely analyzed leading to a large set of assigned lines. The experimental levels derived from this set of transitions were fit to within their experimental uncertainties using Watson-type Hamiltonians. Precise band centers, rotational and centrifugal distortion constants were determined. The following band centers in cm⁻¹ were obtained: ν₀(3ν₂)=1538.720198(11), ν₀(ν₁ + ν₃)=2475.828004(29), ν₀(ν₁ + ν₂ + ν₃)=2982.118600(20), ν₀(2ν₃)=2679.800919(35), and ν₀(2ν₁ + ν₃)=3598.773915(38). The rotational constants obtained in this work have been fit together with the rotational constants of lower-lying vibrational states [W.J. Lafferty, J.-M. Flaud, R.L. Sams, EL Hadjiabib, J. Mol. Spectrosc. 252 (2008) 72-76] to obtain equilibrium constants as well as vibration-rotation constants. These equilibrium constants have been fit together with those of ³²S¹⁶O₂ [J.-M. Flaud, W.J. Lafferty, J. Mol. Spectrosc. 16 (1993) 396-402] leading to an improved equilibrium structure. Finally the observed band centers have been fit to obtain anharmonic rotational constants.     

Ultra-thin Si overlayers on the TiO2 (1 1 0)-(1 × 2) surface: Growth mode and electronic properties

The growth of thin subnanometric silicon films on TiO₂ (1 1 0)-(1 × 2) reconstructed surfaces at room temperature (RT) has been studied in situ by X-ray and ultra-violet photoelectron spectroscopies (XPS and UPS), Auger electron and electron-energy-loss spectroscopies (AES and ELS), quantitative low energy electron diffraction (LEED-IV), and scanning tunneling microscopy (STM). For Si coverage up to one monolayer, a heterogeneous layer is formed. Its composition consists of a mixture of different suboxides SiO_x (1 < x ? 2) on top of a further reduced TiO₂ surface. Upon Si coverage, the characteristic (1 × 2) LEED pattern from the substrate is completely attenuated, indicating absence of long-range order. Annealing the SiO_x overlayer results in the formation of suboxides with different stoichiometry. The LEED pattern recovers the characteristic TiO₂ (1 1 0)-(1 × 2) diagram. LEED I-V curves from both, substrate and overlayer, indicate the formation of nanometric sized SiO_x clusters.