Anomalous 13 422 diffraction spots from {111} flat gold crystallites: (111) surface reconstruction and moiré fringes between the surface and the bulk

This paper describes very flat {111} gold crystallites grown on graphite. The diffraction patterns of such crystallites show the “usual” $\text{1}\text{3}$ 422 anomalous spots. It is shown that these spots are in fact split in such a way that each $\text{1}\text{3}$ 422 spot is surrounded by an hexagonal array of additional spots, aligned in the 〈110〉 directions. When seen by TEM, the crystallites show 〈112〉 periodic contrasts which are not normal moiré fringes or misfit dislocations between gold and graphite. An interpretation following Yagi et al. is proposed which connects these 2 kinds of anomalies: they should result from the surface superstructure 23 × 1 of clean (111) gold face, described very recently by Melle and Menzel.     

Velocity dependence of azimuthal anisotropies in ion scattering from rhodium {111}

The scattering of He⁺, Ne⁺ and Ar⁺ ions from Rh {111} is measured as a function of the azimuthal angle of the primary ion for an incident polar angle of 70° from the surface normal and an inplane collection angle of 60°. In this case anisotropy is defined as the ratio of the yield of ions scattered having the azimuth of 〈110〉 to the yield of those having the azimuth of 〈211〉. The yield ratio for all particle types correlates with particle velocity. The ratio is ～ 1 at low velocities, decreases to ～ 0.2 at 8 × 10⁶$\text{cm}\text{s}$ and then increases to a value of 1.4 at 25 × 10⁶$\text{cm}\text{s}$. Molecular dynamics calculations have been performed for Ne⁺ ion scattering from Rh{111} in order to understand the changes in anisotropy with particle velocity. Qualitative agreement with the experimental results is obtained without having to account for neutralization. A neutralization probability that depends on the collision time improves the agreement between the calculated and experimental yield ratios. A velocity dependent probability will not affect the ratio of yields in two different azimuthal directions.     

Hydrogen diffusion in the elastic fields of dislocations in iron

The effect of dislocation stress fields on the sink efficiency thereof is studied for hydrogen interstitial atoms at temperatures of 293 and 600 K and at a dislocation density of 3 × 10¹⁴ m^–2 in bcc iron crystal. Rectilinear full screw and edge dislocations in basic slip systems 〈111〉{110}, 〈111〉{112}, 〈100〉{100}, and 〈100〉{110} are considered. Diffusion of defects is simulated by means of the object kinetic Monte Carlo method. The energy of interaction between defects and dislocations is calculated using the anisotropic theory of elasticity. The elastic fields of dislocations result in a less than 25% change of the sink efficiency as compared to the noninteracting linear sink efficiency at a room temperature. The elastic fields of edge dislocations increase the dislocation sink efficiency, whereas the elastic fields of screw dislocations either decrease this parameter (in the case of dislocations with the Burgers vector being 1/2〈111〉) or do not affect it (in the case of dislocations with the Burgers vector being 〈100〉). At temperatures above 600 K, the dislocations affect the behavior of hydrogen in bcc iron mainly owing to a high binding energy between the hydrogen atom and dislocation cores.     

Ionic conductivity in epitaxial AgCl films

The space charge conductance and bulk conductivity of epitaxial {111} and {200} films of AgCl with thickness in the 1-μ range has been measured. Interstitial silver ions predominate in concentration within the space charge layer and in the bulk, but are present in concentration roughly $\text{1}\text{10}$ the concentration present in similar AgBr films. Values of the free energy change required for interstitial formation (0·56 eV) and vacancy formation (0·69 eV) were obtained for generation at the surface sites on a {111} film; similar values are reported for {200} films, although the value depends somewhat on the substrate. The concentration of ionic carriers present in the AgCl thin films is 100–1000 times greater than in bulk single crystals.     

Thermoelectric power measurements in polycrystalline AgI: Cd system

Thermoelectric power of polycrystalline AgI: Cd system was measured as a function of temperature from 50 to 180°C. The heat of transport $\text{Q}{}^1$, intrinsic vacancy concentration c_o and ratio of interstitial to vacancy mobilities in the β phase were deduced under the assumption of no association. The heat of transport $\text{Q}{}^1$ was also temperature dependent in β-AgI: 0.27 eV at 80°C, 0.21 eV at 100°C and 0.17 eV at 120°C. It was estimated that the formation energy of the defect pair h_F was 0.66 ± 0.06 eV and the activation energies for motion of vacancies and interstitials were 0.55 ± 0.03 and 0.38 ± 0.03 eV, respectively. These approximately agree with data reported up to date in single and poly- crystal β-AgI. The heat of transport of vacancies was approximately equal to the activation energy of vacancy migration.     

Xe monolayer adsorption on Ag(111) I. Structural properties

The monolayer of adsorbed xenon on the (

1) surface of silver was studied using low- energy electron diffraction. The structure is an hexagonal lattice aligned with but out of registry with the substrate. The Xe-Xe spacing at 25 K is 4.44 ± 0.01 Å in the full monolayer and 4.47 ± at less than full coverage. The Xe-Ag spacing is 3.5 ± 0.1 Å. Here $\text{〈u}{}_{\mathrm{\perp }}\text{〉}{}^2\text{T}$, the meansquare vibrational amplitude normal to the surface divided by the temperature is (1.83 ± 0.4 × 10^?4 A²/K. The heat of adsorption is 0.28 ± 0.03 eV/atom.     

bcc Fe中刃型位错的结构及能量学研究

基于位错理论，利用分子动力学方法建立了〈100〉{010}，〈100〉{011}，1/2〈111〉{011}和1/2〈111〉{112}刃型位错的芯结构，并计算了这四种刃型位错的形成能、位错芯能量和芯半径.计算结果表明：〈100〉{010}和〈100〉{011}刃型位错的形成能比1/2〈111〉{011}和1/2〈111〉{112}刃型位错的要高，这表明〈100〉刃型位错比1/2〈111〉刃型位错更难形成.而〈100〉{010}和〈100〉{011}刃型位错的芯半径比1/2〈111〉{011}和1/2〈111〉{112}刃型位错的小，这说明在1/2〈111〉刃型位错中位于奇异区的原子数多于〈100〉刃型位错，而这些原子要比完整晶体中的原子具有更大的活性.可见，1/2〈111〉刃型位错比〈100〉刃型位错更易运动，且〈100〉刃型位错在bcc Fe中难以形成. 关键词： bcc Fe 刃型位错 分子动力学模拟     

Elastic leed intensity-energy studies of clean (001), (110) and (111) nickel surfaces

Elastic low energy electron diffraction (LEED) intensity-energy (I-E) measurements for clean (001), (110), and (111) nickel surfaces were obtained at room temperature. Surface composition was monitored by Auger spectroscopy. I-E data from 15 to 220 eV were obtained at normal incidence for the non specular beams and for the specular beams at incidence angles from 4° to 20° on the 0° and 45° azimuths of (001), on the 0° and 90° azimuths of (110), and on the 0° azimuth of (111) nickel. Normalization of the data was performed electronically during data acquisition. Intensities were calibrated with the use of a shielded, biased Faraday collector. The effects of instrumental and experimental uncertainties were examined and minimized to obtain intensities accurate to ± 15 %, energy scales accurate to ± 0.35 eV, and incident and azimuthal angles accurate to ± 0.25° and ± 1.0° respectively.All nickel surfaces have I-E spectra which are characteristic of strong multiple scattering. Angular evolution features for (001) and (110) spectra may be correlated with intraplanar resonances associated with the onset of propagating beams. Only the (001) surfaces were found to have pronounced, sharp resonance features associated with surface barrier resonances and inelastic loss processes. Kinematic analysis of the Lorenzian-shaped I-E peaks on all surfaces in consistent with surface expansion using either an energy-dependent or a constant inner potential of 10.75 ± 0.5 eV. The widths of these same peaks on all surfaces were found to vary as $\text{E}{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$ above 40 eV and $\text{E}{}^{\mathrm{<mtext>1</mtext><mtext>3</mtext>}}$ below.     

On low temperature glide of dissociated 〈1 1 0〉 dislocations in strontium titanate

An elastic interaction model is presented to quantify low temperature plasticity of SrTiO₃ via glide of dissociated 〈1 1 0〉{1 1 0} screw dislocations. Because 〈1 1 0〉 dislocations are dissociated, their glide, controlled by the kink-pair mechanism at T < 1050 K, involves the formation of kink-pairs on partial dislocations, either simultaneously or sequentially. Our model yields results in good quantitative agreement with the observed non-monotonic mechanical behaviour of SrTiO₃. This agreement allows to explain the experimental results in terms of a (progressive) change in 〈1 1 0〉{1 1 0} glide mechanism, from simultaneous nucleation of two kink-pairs along both partials at low stress, towards nucleation of single kink-pairs on individual partials if resolved shear stress exceeds a critical value of 95 MPa. High resolved shear stress allows thus for the activation of extra nucleation mechanisms on dissociated dislocations impossible to occur under the sole action of thermal activation. We suggest that stress condition in conjunction with core dissociation is key to the origin of non-monotonic plastic behaviour of SrTiO₃ at low temperatures.     

Ultrasonic attenuation in aluminium

Second- and third-order elastic-constant data have been used to determine the Grüneisen mode, 〈γ〉, average-square Grüneisen constant, 〈γ²〉 and nonlinearity constant D, for Aluminium. The attenuation suffered by longitudinal ultrasonic wave propagating in 〈100〉 and 〈110〉 directions and shear wave polarized along 〈100〉 and 〈1$\text{1}$0〉 directions, due to phonon viscosity and thermoelastic phenomena have been evaluated from two different values of TOEM at 289°K and comparison with observed experimental results has been made also.     

A study of the (00) LEED beam intensity at normal incidence from CdS(0001), Cu(001), Cu(111), and Ni(111)

A Faraday cage apparatus is used for the measurement of the (00) LEED beam intensity, I₍₀₀₎, and the total secondary emission coefficient, δ(E_k), for angles of incidence from 0° ± 2° to 8° ± 2°, with an energy resolution of ± 0.037 of the incident beam energy, in the energy range 1 to 200 eV. The data are normalized and expressed as a fraction of the incident beam intensity. The basic principle of operation is the separation of the incident and specularly diffracted beams in a uniform magnetic field. Monolayer, or in-plane, resonances associated with the emergence of nonspecular beams, as well as beam threshold minima, are observed in I₍₀₀₎ at normal incidence from clean CdS(0001), Cu(111), and Ni(111). Some major differences are observed in the I₍₀₀₎ profiles for the clean (111) surfaces of nickel and copper. All secondary Bragg peaks, except the 2$\text{2}\text{3}$ order, have greater intensities for Ni(111) in the energy range 50–150 eV, thus indicating that the atomic scattering cross-section for electrons in this energy range is larger for nickel than for copper. For the (111) surface of nickel, the (11) resonance is missing, but the (10) resonance and all $\text{1}\text{3}$ order secondary Bragg peaks between the second and fifth orders are observed. For Cu(111) both the (10) and (11) resonances are observed, but the $\text{1}\text{3}$, $\text{2}\text{3}$, 1$\text{2}\text{3}$, and 3$\text{1}\text{3}$ order secondary Bragg peaks are missing in this energy range. These data indicate that multiple scattering with evanescent intermediate waves, or “shadowing”, is predominate on the (111) surfaces on nickel and copper for energies above 30 eV, and that below 30 eV multiple scattering with propagating intermediate waves is predominate on Cu(111). Correlation of the (00) beam intensity profiles from clean Ni(111) at 0°, 2°, and 6° with the intensity profiles of the (10). (1&#x0304;0), and (11) non-specular beams is nearly one-to-one from 30 eV to 100 eV, thus supporting the dynamical theories of LEED in which peaks in the (00) beam are expected to occur at nearly the same energies as peaks in the non-specular beams.     

Total cross section for neutrino charged current interactions at 3 GeV and 9 GeV

Average total cross sections are given for neutrino charged current interactions at neutrino energies of 2.87 GeV and 9.05 GeV. The ratios $\text{〈σ〉}\text{〈E〉}\text{are}\text{0.69 ± 0.05}\text{and}\text{0.61 ± 0.06}$ in units of 10^?38 cm²/GeV nucleon, respectively The errors include both statistical and systematic uncertainties.     

β—SiC外延层中晶体缺陷的观察

用腐蚀法研究了β-SiC外延层中的晶体缺陷。腐蚀剂为熔融氢氧化钾。三角形尖底蚀坑对应于位错。在β-SiC中的全位错为立方晶系的73°位错和60°位错。不同堆垛方式的β-siC生长层相遇时将形成{111}交界层错,其腐蚀图象为平行于<110>方向的直线。60°位错可分解为两个1/6<112>SchockLey不全位错,并夹着一片{111}层错构成扩展位错。三个1/6<110>压杆位错与三片{111}层错可构成层错锥体。正、反堆垛的β-SiC可形成尖晶石律双晶,双晶面为(111)。腐蚀法和X射线劳厄法证实了这种双晶的存在。 关键词：     

Peierls-nabarro barrier and stress of a/2 〈111〉 edge dislocation in α-Fe

The Peierls-Nabarro barrier and stress of thea/2〈111〉 edge dislocation on {112} and {110} plane inα-Fe at O K is calculated within the Peierls-Nabarro model. The method proposed by Nabarro is used, however, the sine force law is replaced by more general force laws based on two central interionic potentials inα-Fe. The values of the Peierls-Nabarro stress corresponding to one of the chosen interionic potentials, 3·5×10^?4 μ and 1×10^?4 μ on {112} plane (in the twinning direction) and on {110} plane, respectively, seem to be good estimates of the stress necessary to move edge dislocations inα-Fe at O K.     

E.S.R. and optical study of the interstitial h centres in heavily neutron irradiated Lif

The paramagnetic spectra of the hole-centres created in LiF by a heavy neutron irradiation at 78°K have been studied by E.S.R. and optical techniques. Samples which have been irradiated at a dose at least equal to $\text{10}{}^{19}\text{solneutrons}\text{cm}{}^2\text{exhibit}$, after they have been warmed at 200°K, several spectra related to 〈111〉-oriented asymmetric centres. These centres are stable up to 500°K. One of them, designated the H_N1 centre, has been studied in detail. The analysis of the paramagnetic spectrum shows that this defect is an interstitial fluorine atom which forms an asymmetric ($\text{F}{}^{\mathrm{<mtext>-</mtext><mtext>?1</mtext><mtext>3</mtext>}}\text{- F}{}^{\mathrm{<mtext>-</mtext><mtext>?2</mtext><mtext>3</mtext>}}$) molecule ion with a lattice fluorine ion. Optical experiments have shown that the excited Σ level is at 4.1 eV from the ground Σ level. Two excited π levels have been found at 2.5 and 2.1 eV. This asymmetric H centre is formed from a primary symmetric H centre, designated the H_N2 centre. The H_N2 centre is 〈110〉-oriented. The transformation of the symmetric H_N2 centre into the asymmetric H_N1 one is associated with important changes in the values of the isotropic hyperfine interaction and of the g_⊥ shift.     

The interaction of He with a 12 〈1 1 1〉 {1 1 0} edge dislocation in W and Mo

The positions of the metal atoms around a $\text{1}\text{2}\text{〈1 1 1〉 {1 1 0}}$ edge dislocation in Mo and W are calculated using the Wilson-Johnson potentials. The boundary conditions are given by anisotropic elasticity theory. The He-metal potential, also developed by Wilson and Johnson, is used to calculate the position with maximum energy gain for a He-atom.     

The clean thermally induced W {001} (1 × 1) → (√2 × √2) R 45° surface structure transition and its crystallography

A (√2 × √2)R45° surface structure on W {001} produced only by cooling below ~370 K, first reported by Yonehara and Schmidt, has been investigated by LEED, AES, work function change, characteristic loss and low energy Auger fine structure measurements. No significant changes at any energy up to 520 eV occur in the standard Auger spectrum upon cooling to 220 K for as long as 30 min after a flash to >2 500 K. The work function of the (√2 × √2) R45° at 210 K is 20 ± 10 mV below that of the (1 × 1) surface, and a sensitive feature in the fine structure of the N₇VV AES transition shows approximately 60% attenuation. Unlike for H₂ adsorption, the “surface plasmon” loss peak exhibits little if any measurable attenuation and no measurable shift in energy as the crystal cools to form the (√2 × √2)R45°. The rate of intensity buildup in the $\text{1}\text{2}$-order LEED beams is strictly temperature dependent, and significant differences exist between the $\text{1}\text{2}$-order LEED spectra produced by cooling and those produced by H₂ adsorption. Only 2-fold symmetry was observed in the LEED beam intensities at exactly normal incidence, rather than 4-fold as expected for statistically equal numbers of rotationally equivalent domains. The LEED I-V spectra for 24 fractional order beams and 12 integral order beams, taken over large energy ranges at normal incidence, clearly establish that the beam intensities display 2 mm point group symmetry, and hence a preference of one domain orientation over the other. No beam broadening or splitting effects were apparent, implying only incoherent scattering from the various domains. The half-order beam spectra (±h/2, ±h/2) are identical in relative intensity to the (±h/2, ±h/2) spectra but different in absolute intensity by a constant factor, which can be explained only by domains with p2mg space group symmetry rather than just p2mm. Adsorption of H₂ onto the cooled (√2 × √2)R45° structure restores the 4-fold symmetry in the LEED beam intensities at normal incidence, giving a c(2 × 2) hydrogen structure, the same as when adsorbing H₂ onto the above room temperature (1 × 1) crystal. This strongly supports the observed p2mg symmetry as being a true property of the cooled (√2 × √2)R45° surface structure. These results show that the (1 × 1) → (√2 × √2) R45° transition produced by cooling is a transition involving displacement of surface W atoms, and that it apparently can be characterized as an order-order, second degree, homogeneous nucleation process, which is strongly prohibited by the presence of impurities or defects.     

Atomic configuration of a 12〈111〉 {110} edge dislocation in α-Fe

The atomic arrangement around a $\text{1}\text{2}$〈111〉 {110} edge dislocation in an α-Fe crystallite embedded in an elastic continuum is calculated, using the Johnson-I interatomic potential. A narrow dislocation without any stacking fault results, although there is some displacement in the core parallel to the dislocation line.     

keV Neutron capture cross sections of 134Ba and 136Ba

The neutron capture cross sections of ¹³⁴Ba and ¹³⁶Ba have been measured in the energy region 3 to ¹⁰⁰keV. The following average quantities were deduced from the extracted resonance parameters: 〈D〉 = 127±10eV, 10⁴S₀ = 0.85±0.3, 10⁴S₁ = 0.8, 〈Γ_γ〉 = 120±20 meV for ¹³⁴Ba. Analysis of the ¹³⁶Ba data gave 〈Γ_γ〉 = 125±30meV for s-wave neutrons. The average 30 keV capture cross sections for these two s-process nuclei were found to be $\text{225±35}\text{mb}\text{for}{}^{134}\text{Ba and}\text{61±10}\text{mb}\text{for}{}^{136}\text{Ba}$.     

The elastic behaviour of In-Tl alloys in the vicinity of the martensitic transition

To test further the prediction of collapse of the [110], q|| [11&#x0304;0] acoustic mode at the martensitic phase transition, pulse superposition measurements of ultrasonic wave velocities have been made in indium-thallium alloys containing 25 and 27 at. % thallium. These alloys are f.c.c. at room temperature and transform on cooling to the f.c.t. phase at 196 ± 2°K and 127 ± 2°K, respectively. Results show that $\text{1}\text{2}$(C₁₁ ? C₁₂) goes to zero within experimental error at the transition temperature. The room temperature elastic constants of the tetragonal 11.5 and 15 at. % thallium alloys are also reported.