Computer simulation of atomic mixing during ion bombardment

The atomic mixing in the target under ion bombardment is assumed to result from cascades of atomic collision events. Computer simulations have been applied to collision cascades to estimate the depth resolution of surface analysis with an ion probe. The Monte Carlo method based on a single scattering model has been used mainly in the calculation under the assumptions of random collision process, no diffusion and no target saturation processes. High-energy collisions are characterized by a Lenz-Jensen or a Thomas-Fermi potential, while a Born-Mayer potential is used in the low energy region. The simulations have been performed for the bombardment of Ar ions withE ₀=5 keV and 10 keV at angles of incidence θ=0° and 60° on Si targets. The depth resolutions [the definition of which is explained by (15) in the text] are about 140Å for the Lenz-Jensen cross section and about 80Å for the Thomas-Fermi one for θ=0° atE ₀=5 keV, and decrease by 20–40% at θ=60° and increase by 70–90% forE ₀=10 keV.     

X-ray diffraction analysis and occurrence of multiple phases in Bi-Sr-Ca-Cu-O superconductors

Starting composition 1112 for Bi-Sr-Ca-Cu-oxide yields multiphase super-conductors with the proportion of constituent phases depending sensitively on the annealing temperature. The R-T curves show zero resistivity and the transition corresponding toT _c = 80 K phase prominently. However, indexing of X-ray diffraction peaks reveals presence of 80 K (lowT _c) as well as 108 K (highT _c) phase. The lowT _c phase thus corresponds to the orthorhombic structure with a unit cell ofa = 5.4Å,b = 27 Å andc = 30.56 Å. This is further understood to be composed of a pseudotetragonal cell ofa =b = 5.41 Å. The highT _c phase similarly pertains to the orthorhombic structure withc = 36 Å.     

Phase transitions in the CN<Subscript>x</Subscript>-TiN system attendant on the variation of the bias voltage during ion-stimulated growth

The structure of amorphous CN_x-TiN films grown by ion-stimulated deposition at a bias voltage U = 200–500 V is studied by X-ray diffraction. As the bias voltage increases in the range U = 300–360 V, the CN_x-TiN films are shown to undergo a phase transition in the amorphous phase having different order scales (20–50 Å): this transition is related to an increase in the content of the fraction of medium-cell (4 Å) carbon clusters as compared to the fractions of clusters with large (8 Å) and small (2 Å) cells. Under these conditions, 80–150 Å crystalline clusters undergo the phase transition from the Ti₂C(N) carbide into graphite (C _g) and diamond (C_d); the last two phases are represented by 100-Å clusters.     

Transitions de phase destructive et non destructive dans le cristal moleculaire bromo-2 naphtalene

The polymorphism of 2-bromonaphthalene has been studied by both crystallographic and energetical methods. Three crystalline forms have been characterized, respectively denoted Br_III, Br_II and Br_I. The first one is the stable form up to 319 K. At this temperature a first order phase transition occurs which breaks the single crystal and leads to a disordered structure Br_I isotypic with the naphthalene one. The Br_II form is a metastable one which appears when cooling the Br_I, form; when so formed, the Br_II phase can give again the Br_I one by annealing; so that the Br_I-Br_II transition is reversible. This second order transition extends over a large temperature range (275–319 K), it does not destroy the single crystal and corresponds to a substructural modification along the c axis of the monoclinic cell. The anomalies of the Cp curve and the variations of the principal components of the thermal expansion tensor suggest that there are two competitive temperature dependent molecular reorientations. The transition Br_II→Br_III which leads to the stable ordered form is spontaneous at room temperature, it takes place sluggishly and destroys the single crystal.Cell parameters of the Br_III form have been determined from powder data using an automatic indexing method: a = 9.578(1) Å, B = 9.601(1) Å, c = 10.303(1) Å, α = 100.79(1)°, β = 109.06(1)°, γ = 101.77(1)°. (Figure of merit M₂₀ = 86.)     

15N Isotopic Effects on the Raman Spectra of Tribromoacetamide

Abstract

¹⁵N-Tribromoacetamide has been synthesized with an isotopic content of 99, 4%, its Raman spectra have been recorded in the range 4.000–50 cm^?1. The isotopic shifts arising from ¹⁵N have been determined and interpreted. We have assigned the vibrational spectra of Br₃CCONH₂ and some overtones, combinations and difference bands. The molecular structure of tribromoacetamide has been studied employing the Ab Initio teoretical calculations and the Teller - Redlich isotopic product rule has been applied by assuming these geometrical parameters:

rCN = 1.4623 Å, rCC = 1.6014 Å, rBrC = 1.9468 Å, rCO = 1.2144 Å, rNH = 1.0292 Å, C-C-Br = 108.83320, C-C-0:118.2440, C-C-N:120.4137, C-N-H:110.45930     

Solid Fabry-Perot etalons for X-rays

Solid Fabry-Perot etalons for X-rays have been constructed using sputter deposition techniques, each etalon consisting of two Layered Synthetic Microstructures (LSM) Bragg diffraction structures separated by a carbon spacer. The individual LS mirrors contain fifteen tungsten layers (t_w = 8.5 Å) separated by carbon layers (t_c = 19.1 Å. The thick carbon spacers act as resonant cavities; for the structures reported on here the spacer thicknesses, t_sp, are 496.6 Å and 981 Å. The structures were characterized at grazing incidence in reflection using Cu Kα (λ = 1.5418 Å) radiation. The measured response of the etalons agrees well with calculation. Observed reflection efficiencies for Cu K_α were approximately 50 percent of that calculated. This discrepancy is believed to be the result of the interfacial roughness (～3.25 Å) between component layers and the sensitivity of the etalon response to the divergence of the incident X-ray beam.     

Ultrasoft X-ray spectroscopy investigation of the model system Si-SiO2

SiO₂ surface films with different thicknesses (ranging from 20 to 630 Å), grown on a crystal silicon substrate, have been investigated by the method of reflection and scattering of ultrashoft X-rays. It is shown on the basis of a simultaneous analysis of the SiL _{2, 3} reflection spectra and the scattering indicatrix that the critical angle θ_c for total external reflection for SiO₂ at λ = 57 Å lies in the range 4.5 °–°. The angular dependence of the thickness of the surface layer that forms the specular reflection is obtained. It is shown that the surface layer, whose thickness corresponds to the penetration depth of the radiation into the material with glancing angle close to the critical value θ_c, plays a large role in the formation of the anomalous scattering peak (Yoneda peak).     

Spin-wave resonance in Co/Pd magnetic multilayers and NiFe/Cu/NiFe three-layered films

The spectrum of standing spin waves has been detected by the ferromagnetic resonance method in NiFe(740 Å)/Cu/NiFe(740 Å) three-layered film structure in the perpendicular configuration for the copper thickness d _Cu ≤ 30 Å. At thicknesses d _Cu > 30 Å, the resonance absorption curve is a superposition of two spinwave resonance spectra from individual ferromagnetic NiFe layers. For Co/Pd multilayer films, united spinwave responance spectra have also been observed at thicknesses of the paramagnetic palladium layer up to d _Pd < 30 Å. The partial exchange stiffness has been calculated for a spin wave propagating across the Pd layer (A _Pd = 0.1 × 10^?6 erg/cm). This value is always positive (up to the critical thickness of the palladium interlayer d _Pd < d _c) or equal to zero (d _Pd > d _c).     

X-ray spectroscopy of multiply-charged ions from laser plasmas

Original results are reported on the observation and identification of spectra of multiply-charged ions in the range of λ ≈ 1.5–15 Å, which corresponds to transitions with a range of principal quantum number n. The main part of the review consists of tables with about a thousand spectral lines, which have been mainly observed in laser-plasma radiation, as well as in the solar corona and other laboratory sources at an electron temperature T_e≈10⁷°K. The accuracy for the wavelengths (Δλ) is the following: Δλ is equal to ≈ 0.0005 Å for λ ≈ 2.5 Å and it is equal to ≈ 0.003 Å for λ ≈ 15 Å. The spectral lines are considered for the following transitions: 1-n type for [H]-like ions (Z = 11–16)and [He]-like ions (Z = 11–26); 2-n type for [Li]-like ions (Z = 19–26), [Be]-like ions (Z = 22–34) and [Ne]-like ions (Z = 26–42); 3-n type [Co]- and [Ni]-like ions (Z = 73). The line-list contains about four hundred wavelengths for multiply-charged iron L-ions (Fe(XVII)-Fe(XXIV)) and is presented with identification of some of the transitions. The wavelengths and intensities of satellites of the [H]-like ions and [He]-like ions, which are caused by transitions from the doubly-excited autoionization states 2l2l′ and 1s2l2L′ of [He]-like ions (Z = 11–16) and [Li]-like ions (Z = 11–26), respectively, are also considered.     

Excitation of projectile Rydberg states in the collisions Be+-He and Mg+-He, 10–75 keV

The photoabsorption coefficient of molecular oxygen has been measured at 1215.70 Å and in the ranges 1205 Å–1214 Å and 1218 Å–1225 Å with an average resolution of ±0.015 Å. The light source in this experiment was the Doppler shifted radiation obtained from Stark quenching of a metastable hydrogen beam with energies between 2 keV and 60 keV. Using observation angles of 45°, 90°, and 135° with respect to the beam the above mentioned tuning ranges are obtained. Our data join smoothly to those of Ogawa [1] in the range 1214 Å–1218 Å and are in fair agreement with earlier measurements in other laboratories. Analytical expressions for the absorption coefficient for use in geophysical applications are presented for the whole wavelength range 1205 Å–1225 Å. Rotational structure of the absorption coefficient in the range 1220 Å–1223 Å arising from the 3-0 band of theα ¹ ∑ _u ⁺ -X ³ ∑ _g ^? forbidden transition in molecular oxygen is clearly resolved in the present measurements. A transition probability ofA=4×10⁴ s^?1 is obtained for this system. A careful study of a possible pressure dependence of the absorption coefficient was made. Except from the region were rotational line absorption occurs and the single point at 1215.70 Å no measurable effect was found for pressures below 100 Torr.     

Magnetotransport in modulation-doped In0.53Ga0.47As/In0.52Al0.48As heterojunctions: in-plane effective mass,quantum and transport mobilities of 2D electrons

Shubnikov–de Haas (SdH) and Hall effect measurements, performed in the temperature range between 3.3 and 20 K and at magnetic fields up to 2.3 T, have been used to investigate the electronic transport properties of lattice-matched In_0.53Ga_0.47As/In_0.52Al_0.48As heterojunctions. The spacer layer thickness (t_S) in modulation-doped samples was in the range between 0 and 400 Å. SdH oscillations indicate that two subbands are already occupied for all samples except for that witht_S =  400 Å. The carrier density in each subband, Fermi energy and subband separation have been determined from the periods of the SdH oscillations. The in-plane effective mass (m ^* ) and the quantum lifetime (τ_q) of 2D electrons in each subband have been obtained from the temperature and magnetic field dependences of the amplitude of SdH oscillations, respectively. The 2D carrier density (N₁) in the first subband decreases rapidly with increasing spacer thickness, while that (N₂) in the second subband, which is much smaller thanN₁ , decreases slightly with increasing spacer thickness from 0 to 200 Å. The in-plane effective mass of 2D electrons is similar to that of electrons in bulk In_0.53Ga_0.47As and show no dependence on spacer thickness. The quantum mobility of 2D electrons is essentially independent of the thickness of the spacer layer in the range between 0 and 200 Å. It is, however, markedly higher for the samples with a 400 Å thick spacer layer. The quantum mobility of 2D electrons is substantially smaller than the transport mobility which is obtained from the Hall effect measurements at low magnetic fields. The transport mobility of 2D electrons in the first subband is substantially higher than that of electrons in the second subband for all samples with double subband occupancy. The results obtained for transport-to-quantum lifetime ratios suggest that the scattering of electrons in the first subband is, on average, forward displaced in momentum space, while the electrons in the second subband undergo mainly large-angle scattering.     

Microwave spectrum,structure, and dipole moment of 7-oxabicyclo[2.2.1]heptane

The microwave spectrum of 7-oxabicyclo[2.2.1]heptane has been assigned in the ground and two excited vibrational states. Relative intensity measurements indicate that these two vibrations have wavenumbers of 120(30) and 330(30) cm^?1. The dipole moment obtained from Stark effect measurements is 1.621(10) D. The molecule is shown to have C_2v symmetry and the assignment of the two singly substituted ¹³C species gives the following skeletal structure: C₁-C₂ = 1.537(5) Å; C₂-C₃ = 1.551(5) Å; C₁-O = 1.452(10) Å; ?C₁OCC₄ = 95.3(10)° φ = 113.1(5)°.     

EXAFS study of copper complexes with azomethinic ligand environment

A series of copper metallochelates C₂₂H₁₈CuN₄O₂ X (X = Se, S, O) as models of active centers of natural metalloproteins have been synthesized on the basis of new azomethine ligand systems. The structure of the complexes has been studied by extended X-ray absorption fine-structure spectroscopy. It is shown that, in the metallochelates with X = Se or S, one azomethine chalcogen-containing ligand undergoes tridentate interaction with copper ions, while the other ligand is an acetate group. As a result, a complex with the N₂O₂ X environment is formed, where one of the oxygen atoms of the acetate group is at a large distance from the metal ion: R = 2.56–2.68 Å. For the metallochelate with X = O, coordination of the acetate group by a copper ion is found to be absent, and only interaction with azomethine ligands having average Cu-N/O distances R = 1.96–2.04 Å is observed.     

Structural transformation in Mg2NiH4

X-Ray diffraction measurements show that on heating Mg₂NiH₄ in a 1 atm pressure H₂ atmosphere, above ～250°C it transforms into a cubic structure, metal atoms in CaF₂ arrangement, a = 6.525 Å. It is concluded that the H atoms are in tetrahedral clusters, and that the structure is only weakly ionic. This conclusion is also supported by NMR measurements. The 20°C structure of Mg₂NiH₄ is shown to be describable primarily as a slight monoclinic distortion of the cubic unit cell; a = 6.594 Å, b = 6.412 Å, c = 6.490 Å and β = 93.1°. However, weak small angle lines show that a longer range order exists and that the true unit cell, which we have not determined, must be very large. To what extent the cubic phase should be considered a high temperature and/or low concentration (Mg₂NiH_4??) phase is not resolved.     

Magnetooptical,optical, and magnetotransport properties of Co/Cu superlattices with ultrathin cobalt layers

We investigated the field dependences of the magnetization and magnetoresistance of superlattices [Co(t _x, Å)/Cu(9.6 Å)]30 prepared by magnetron sputtering, differing in the thickness of cobalt layers (0.3 Å ≤ t _Co ≤ 15 Å). The optical and magnetooptical properties of these objects were studied by ellipsometry in the spectral region of hω= 0.09–6.2 eV and with the help of the transverse Kerr effect (hω= 0.5–6.2 eV). In the curves of an off-diagonal component of the tensor of the optical conductivity of superlattices with t _Co = 3–15 Å, a structure of oscillatory type (“loop”) was detected in the ultraviolet region, resulting from the exchange splitting of the 3d band in the energy spectrum of the face-centered cubic structure of cobalt (fcc Co). Based on magnetic experiments and measurements of the transverse Kerr effect, we found the presence of a superparamagnetic phase in Co/Cu superlattices with a thickness of the cobalt layers of 3 and 2 Å. The transition from superlattices with solid ferromagnetic layers to superparamagnetic cluster-layered nanostructures and further to the structures based on Co and Cu (t _Co = 0.3–1 Å) with a Kondo-like characteristics of the electrical resistivity at low temperatures is analyzed.     

Mössbauer study of natural wolframites

Natural Wolframite, (Fe _x Mn_1?x )WO₄ withx=0.95 to 0.41, obtained from seven different sites of two quartz-wolframites deposits of Degana and Sirohi in Rajasthan. India, have been studied by Mössbauer spectroscopy down to 20 K. X-ray diffraction studies with a monochromatic Cu radiation (λK_a-1.5405 Å), were carried out to determine the value ofx. The Mössbauer spectra of all seven samples were recored at 300, 200, 100, 50, 40, 30 and 20 K, and were least square fitted for different sites. The Mössbauer parameters are attributed to a high spin ferrous ion in a quite distorted octahedral symmetry, and only one sextet has been resolved below transition temperature.     

New compounds in the Mn-X-Bi system where X = Ni, Cu, RhorPd

A new class of magnetic compounds has been discovered in the temary system Mn-X-Bi where X is Ni, Cu, Rh or Pd. The approximate compositions of these compounds are Mn₅Ni₂Bi₄, Mn₃Cu₄Bi₄, Mn₅Rh₂Bi₄, and Mn₅Pd₂Bi₄. The Bravais lattice is face-centered cubic, and the lattice constants are 12.16 Å (X = Ni), 12.18 Å (X = Cu), 12.31 Å (X = Rh) and 12.44 Å (X = Pd). These compounds are probably ferromagnetic and have Curie temperatures in the range -7°C to 183°C. A crystal structure is proposed for these compounds which contains 88 atoms/unit cell.     

Electron paramagnetic resonance in deuterated nickel fluosilicate

Electron paramagnetic resonance measurements in single crystals of NiSiF₆. 6D₂O were made at K, Ku and Ka bands at 4.2 K and between 77 K and 300 K. The measured g values were in the range 2.23–2.26, while the zero-field splitting parameter D varied from ?(0.185 ± 0.005) cm^?1 at 4.2 K to ?(0.53 ± 0.01) cm^?1 at 298 K. The parameters of the trimolecular hexagonal unit cell were determined to be approximately a = 9.28 Å, c = 9.58 Å from powder X-ray diffraction measurements at room temperature.     

Experimental microwave collision diameters in the rotational spectrum of H2CO

Collision diameters for some select transitions in the rotational spectrum of H₂CO have been determined using pressure broadening of the spectral lines. Transitions of the type ΔJ = 0, K_?1 = 1, and ΔK₊₁ = 1 with 1 ≤ J ≤ 5 were investigated for both self-broadening and foreign gas broadening (He and H₂) of the spectral lines. Pressure ranges from 0.001 Torr to 0.1 Torr were explored in obtaining the line width parameters Δν_p for each transition. Collision diameters were found to be very nearly constant (14 Å) over the J states studied for H₂COH₂CO interaction, 2.5–5.8 Å for H₂COH₂ interaction and 2.7–3.5 Å for H₂COHe interaction.