Interaction of Lomer–Cottrell locks with screw dislocations

In fcc crystals, dislocations are dissociated into partial dislocations and, therefore, restricted to move on {111} glide planes. By junction reactions with dislocations on two intersecting {111} planes, Lomer–Cottrell dislocations along ?110? directions can be formed which are barriers for approaching screw dislocations. Treating the interaction between a dissociated screw dislocation and a LC lock conventionally, using classical continuum theory and assuming the partials to be Volterra dislocations, leads to erroneous conclusions. A realistic result can only be obtained in the framework of the Peierls model, treating the partials as Peierls dislocations and explicitly taking account of the change in atomic misfit energy in the glide plane. At even moderate stresses (at less than 3 × 10^?3 µ in Cu), the screw will combine with the LC lock to form a Hirth lock. As a result, the nature of the repulsive force will change drastically.     

Effects of the AlN nucleation layer thickness on the crystal structures of an AlN epilayer grown on the 6H-SiC substrate

The influence of the LT-AlN(NL) growth times on the mosaic structure parameters of the AlN layer grown on the LT-AlN(NL)/6H-SiC structures as well as the dislocation densities and the strain behaviours in the AlN epilayers has been investigated using XRD measurements. The growth times of the LT-AlN(NL) were changed to 0, 60, 120, 180, and 240?s. We observed that the mosaic structure parameters of the AlN epilayers were slightly affected by the LT-AlN(NL) growth times. However, the dislocation densities in the AlN layer are affected by the growth times of the LT-AlN(NL) layer. The highest edge dislocation density (5.48?×?10¹⁰?±?2.3?×?10⁹?cm^?2) was measured for the sample in which 120?s grown LT-AlN(NL) was used. On the other hand, highest screw type dislocation density (1.21?×?10¹⁰?±?1.7?×?10⁹?cm^?2) measured in the sample E that contains 240?s growth LT-AlN(NL). The strain calculation results show that the samples without LT-AlN(NL) suffered maximum compressive in-plane strain (?10.9?×?10^?3?±?1.8?×?10^?4), which can be suppressed by increasing the LT-AlN(NL) growth times. The out-of-plane strain also has a compressive character and its values increase with LT-AlN(NL) growth times between 60 and 180?s. Same out-of-plane strain values were measured for the LT-AlN(NL) growth times of 180 and 240?s. Furthermore, the form of the biaxial stress in the AlN epilayer changed from compressive to tensile when the LT-AlN(NL) growth times were greater than 120?s.     

Optical absorption edge of GaS under hydrostatic pressure

The pressure variation of the optical edge of GaS has been measured. The direct exciton has been studied up to 6 kbar at 77 K and the indirect edge up to 40 kbar at 300 K. The exciton is shown to have a coefficient of ?2 ± 0.5 × 10^?6eV/bar and the indirect edge of ?ll ± 1.5× 10^?6eV/bar. A discussion of the values of the pressure coefficients for direct and indirect transitions in gallium chalcogenides is given.     

Effect of uniaxial stress on InSbtunnel junctions

The deformation potential constants of heavily doped InSb have been determined by applying uniaxial stress to p-n tunnel junctions formed below the surface of rectangular InSb bars. Stress applied parallel to the major axes of these bars and parallel to the junction plane resulted in a linear decrease in tunnel current as a function of stress. The percentage decreases were 24·5 × 10^?3, 9·5 × 10^?3 and 4·5 × 10^?3cm²kg^?1 for stress applied parallel to [010], [11¯0], and [111] directions respectively. The observed changes in tunnel currents are attributed to a decrease in the tunnel probability produced by a shift in the conduction band edge relative to that of the valence band. Our data is consistent with a hydrostatic deformation potential of — 10 eV, and valence band deformation potentials b = ? 1·3 eV and d = ?7·4 eV.     

Spectroscopy of YAl3(BO3)4:Cr3+ crystals following first principles and crystal field calculations

The CASTEP module of the Materials Studio package was used for calculations of the structural, electronic and optical properties of pure and Cr³⁺-doped YAl₃(BO₃)₄ (YAB). The exchange-correlation effects were treated within the generalized gradient approximation with the Perdew–Burke–Ernzerhof functional. The Monkhorst–Pack scheme k-points grid sampling was set at 3?×?3?×?4 for the Brillouin zone. The plane-wave basis set energy cutoff was set at 340?eV; ultrasoft pseudopotentials were used for all chemical elements. The convergence parameters were as follows: total energy tolerance 1?×?10^?5?eV/atom, maximum force tolerance 0.03?eV/nm, maximal stress component 0.05?GPa and maximal displacement 0.001?Å. The principal absorption peaks of the studied crystal were identified. The influence of 532?nm?cw, 300?mW laser radiation on the observed absorptions was studied.     

Optical absorption in MnIn2S4 single crystals

Optical absorption in MnIn₂S₄ single crystals has been studied. Direct and indirect optical transitions are found to occur at photon energies of 1.90?C2.16 eV in the temperature range of 80?C342 K. The temperature dependence of the band gap is determined; its temperature coefficients E _gd and E _gi are found to be ?4.84 × 10^?4 and ?6.33 × 10^?4 eV/K, respectively. The electron-phonon interaction is the main mechanism of the temperature shift of the intrinsic-absorption edge. MnIn₂S₄ single crystals exhibit anisotropy in polarized light at the absorption edge in the temperature range of 90?C190 K; the nature of this anisotropy is explained.     

Pressure and temperature dependence of Raman scattering and optical absorption in crystalline S4N4

Raman scattering and optical absorption in crystalline S₄N₄ have been measured both as a function of pressure at 295 K and low temperatures. Polarized single crystal Raman data were also obtained as an aid in the assignment of the Raman active phonons. The pressure coefficients of the Raman active external and S-S stretching modes show a discontinuity near 7 kbar indicative of a second order phase change. The optical absorption edge at about 2.5 eV of a sublimed film of S₄N₄ shows red shifts of 1.3 × 10^?5 eV bar^?1 and 6.3 × 10^?4 eV K^?1 with pressure and temperature respectively. In the light of these results, the electronic, vibrational and structural properties of the crystal are discussed.     

Growth of high-quality ZnO thin films on (11\bar{2}0) a-plane sapphire substrates by plasma-assisted molecular beam epitaxy

High-quality ZnO thin films were grown on a-plane sapphire substrates by plasma-assisted molecular beam epitaxy. X-ray diffraction and transmission electron microscopy reveal that the ZnO films have high structural quality and an atomically sharp ZnO/Al₂O₃ interface. The full width at half maximum values of the 0002 and $30\bar{3}2$ ZnO ω-rocking curves are 467.8 and 813.5 arc sec for a 600 nm thick ZnO film. A screw dislocation density of 4.35×10⁸ cm^?2 and an edge dislocation density of 3.38×10⁹ cm^?2 are estimated by X-ray diffraction. The surface of the ZnO epilayers contains hexagonal pits, which can be observed in the Zn-polar ZnO. The films have a resistivity of 0.119 Ω?cm, an electron concentration of 6.85×10¹⁷ cm^?3, and a mobility of 76.5 cm²?V^?1?s^?1 at room temperature. Low temperature photoluminescence measurements show good optical properties comparable to ZnO single crystals.     

Electron impact ionisation cross sections of cis- and trans-diamminedichloridoplatinum(II) and its hydrolysis products

ABSTRACT

We report total electron-impact ionisation cross sections (EICSs) of cisplatin, its hydrolysis products and transplatin in the energy range from threshold to 10?keV using the binary-encounter-Bethe (BEB) and its relativistic variant (RBEB), and the Deutsch-Märk (DM) methods. We find reasonable agreement between all three methods, and we also note that the RBEB and the BEB methods yield very similar (almost identical) results in the considered energy range. For cisplatin, the resulting EICSs yield cross section maxima of 22.09?×?10^?20?m² at 55.4?eV for the DM method and 18.67?×?10^?20?m² at 79.2?eV for the (R)BEB method(s). The EICSs of monoaquated cisplatin yield maxima of 12.54?×?10^?20?m² at 82.8?eV for the DM method and of 9.74?×?10^?20?m² at 106?eV for the (R)BEB method(s), diaquated cisplatin yields maxima of 7.56?×?10^?20?m² at 118.5?eV for the DM method and of 5.77?×?10^?20?m² at 136?eV for the (R)BEB method(s). Molecular geometry does not affect the resulting EICS significantly, which is also reflected in very similar EICSs of the cis- and trans-isomer. Limitations of the work as well as desirable future directions in the research area are discussed.     

Pressure dependence of the absorption edge for Cd1-xMnxTe

The effect of pressure on the optical absorption edge of mixed crystals Cd_1-xMn_xTe with different manganese concentrations is reported. The observed absorption edge shifts to higher energy with increasing pressure at a rate of α=7?8×10^?3 eV/kbar and a second order coefficient of β=-4×10^?5 eV/kbar² for x<0.5, to lower energy with increasing pressure at a rate of α=-5.0 ×10^?3 eV/kbar for x?0.5. A phase transition occurs for all the samples studied. The absorption edge of the new phase is outside the wavenumber range of the instrument. The physical origins of different pressure coefficients are discussed in the light of the deformation potentials of energy band states and the hybridization of the Mn²⁺ 3d levels with the p-like states in the valence band.     

Knight shifts and magnetic susceptibilities of the intermetallic compounds CeCu4 and CeCu5

The magnetic susceptibility and Knight shift of the compounds CeCu₄ and CeCu₅ have been measured over the temperature ranges 80–800 and 140–400 K, respectively. The most important contributions to the magnetic susceptibility are the Curie-Weiss term, expressing the paramagnetism of the localized ?-electrons, and a temperature independent term, which have both been determined. The phenomenological exchange integral F_s? between the 4?-electron spins and conduction electron spins was found to be ?10.43× 10^?3 eV for CeCu₄ and 3.9 × 10^?3 eV for CeCu₅. A reversal in the sign of the s?? coupling for CeCu₅ is noted.     

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.     

The peierls energy and kink energy in fcc metals

In fcc crystals, dislocations are dissociated on the {111} glide plane into pairs of partial dislocations. Since each partial interacts individually with the Peierls potential and is coupled to its neighbour by a stacking fault, periodic variations in the separation distance d of the partials occur when dislocations running along closed packed lattice directions are displaced. This can drastically reduce the effective Peierls stress. By using the Peierls model the structure of 0°, 30°, 60° and 90° dislocations in a typical fcc metal with the elastic properties of Cu and a stacking-fault energy γ₀ in the interval 0.04?≤?γ₀?≤?0.05?J/m² was studied, and the magnitude of the Peierls energy ΔE _P and the resulting kink energies E _K were determined. Since the energies involved are of the order of 10^?3?eV/b or less, their magnitude cannot be asserted with high confidence, considering the simplifying assumptions in the model. The difference in the changes of the core configuration during displacement of dislocations of different orientations should, however, be of physical significance. It is found that a dissociated 60° dislocation generally has a higher effective Peierls energy than a screw dislocation, but the reverse is true for the kink energy, at least in Cu.     

Synthesis and characterization of p-GaSe thin films and the analyses of I–V and C–V measurements of p-GaSe/p-Si heterojunction under electron irradiation

Gallium Selenide (GaSe) thin films were grown by the electrochemical deposition (ECD) technique on Indium tin oxide (ITO) and p-Si (100) substrates. The Electron paramagnetic resonance (EPR) spectrum of GaSe thin films’ growth on ITO was recorded at room temperature. According to EPR results, the g value of an EPR signal obtained for GaSe deposited on ITO is 2.0012?±?0.0005. In/GaSe/p-Si heterojunction was irradiated with high-energy (6?MeV) and low-dose (1.53?×?10¹⁰?e^??cm^?2) electrons. The ideality factor of the In/GaSe/p-Si device was calculated as 1.24 and barrier height was determined as 0.82?eV from I–V measurements before irradiation. Acceptor concentration, built-in potential and barrier height of the In/GaSe/p-Si device were also obtained as 0.72?×?10^14?cm^?3, 0.65?eV and 0.97?eV from C–V measurements, respectively. After irradiation, the ideality factor n and barrier height Φ_b values of the In/GaSe/p-Si device were calculated as 1.55 and 0.781?eV, respectively. Acceptor concentration, the built-in potential and barrier height values of the In/GaSe/p-Si device have also shown a decrease after 6?MeV electron irradiation. This change in heterojunction device parameters shows that current transport does not obey thermionic emission, and thus tunneling could be active due to the defects formed by irradiation at the In–GaSe interface.     

Microstructural change due to isochronal annealing in severely plastic-deformed commercial purity aluminium

Microstructural changes, such as the density of grain boundary (GB) and dislocation density, due to isochronal annealing in severely plastic-deformed commercial purity aluminium up to 523 K was evaluated using electrical resistivity measurements and scanning transmission electron microscopy. Eventually, the GB density decreases from about 7.2 × 10⁶ to about 2 × 10⁶ m^?1, whilst the dislocation density decreases from an initial value of around 1.3 × 10¹⁴ m^?2 down to around 4 × 10¹³ m^?2.     

Dissociative Excitation of Tetramethylsilane (TMS) and Hexamethyldisiloxane (HMDSO) by Controlled Electron Impact

The optical emission spectra in the wavelength region 200–800 nm produced by electron impact on the silicon-organic molecules TMS (tetramethylsilane) and HMDSO (hexamethyldisiloxane) under controlled single-collision conditions have been analyzed. Absolute emission cross sections from threshold to 200 eV impact energy were determined for a variety of emission features. For both targets, the CH(A²Δ → X²Π) emission, the so-called CH ?4300 Å”? band, was found to have the largest emission cross section with values (at 100 eV) of 5.5 × 10^?19 cm² and 6.1 × 10^?19 cm² for TMS and HMDSO, respectively. Relatively high onset energies of 28.0 ± 1.5 eV (TMS) and 33.1 ± 1.5 eV (HMDSO) were measured for these emissions. Weaker emission features in both spectra were identified as CH bands corresponding to the B²∑^? → X²Π transition (the CH ?3900 Å”? system) and the C²∑ → X²Π transition, and as the atomic Si line emissions at 253 nm and 288 nm. Near-threshold studies indicate an onset for the Si emissions of 29.0 ± 2.0 eV (TMS) and 44.6 ± 2.0 eV (HMDSO). Absolute cross sections and appearance energies were also determined for the strongest lines of the hydrogen Balmer series for both targets. The comparatively high onset energies and small emission cross sections for all observed emissions indicate that single-step dissociative excitation processes are unlikely to play a dominant role in low-temperature processing plasmas containing TMS and HMDSO.     

X-ray structure refinement and ionic conductivity of Na6.69Ca3.355(SO4)6Cl0.77F0.63

The structure of Na_6.69Ca_3.355(SO₄)₆Cl_0.77F_0.63, isostructural with fluorapatite, was determined by X-ray powder diffraction methods. The results of Rietveld refinement revealed a space group P6₃/m with lattice parameters of a?=?9.477 (2) Å, c?=?6.865 (5) Å. Final refinement led to R _F?=?1.83 % and R _B?=?7.64 %. The location of Na⁺ ions in the M (2) sites surrounding the channels was related particularly to the high polarizability of the Ca²⁺. The ionic conductivity over a wide range of temperature was investigated according to the complex impedance method. The highest overall conductivity values were found at σ _500 °C?=?1.03?×?10^?5?S?cm^?1 and E_a?=?0.70 eV.     

The GaP(001) surface and the adsorption of Cs

GaP(001) cleaned by argon-ion bombardment and annealed at 500°C showed the Ga-stabilized GaP(001)(4 × 2) structure. Only treatment in 10^?5 Torr PH₃ at 500°C gave the P-stabilized GaP(001)(1 × 2) structure. The AES peak ratio $\text{P}\text{Ga}$ is 2 for the (4 × 2) and 3.5 for the (1 × 2) structure. Cs adsorbs with a sticking probability of unity up to 5 × 10¹⁴ Cs atoms cm^?2 and a lower one at higher coverages. The photoemission measured with uv light of 3660 Å showed a maximum at the coverage of 5 × 10¹⁴ atoms cm^?2. Cs adsorbs amorphously at room temperature, but heat treatment gives ordered structures, which are thought to be reconstructed GaP(001) structures induced by Cs. The LEED patterns showed the GaP(001)(1 × 2) Cs structure formed at 180°C for 10 h with a Cs coverage of 5 × 10¹⁴ atoms cm^?2, the GaP(001)(1 × 4) Cs formed at 210°C for 10 hours with a Cs coverage of 2.7 × 10¹⁴ atoms cm^?2, the GaP(001)(7 × 1) and the high temperature GaP(001)(1 × 4), the latter two with very low Cs content. Desorption measurements show three stability regions: (a) between 25–150°C for coverages greater than 5 × 10¹⁴ atoms cm^?2, and an activation energy of 1.2 eV; (b) between 180–200°C with a coverage of 5 × 10¹⁴ atoms cm^?2, and an activation energy of 1.8 eV; (c) between 210–400°C with a coverage of 2.7 × 10¹⁴ atoms cm^?2, and an activation energy of 2.5 eV.     

Strain-field scattering of fast-transverse acoustic phonons by dislocations in LiF

The mean-free-paths of transverse acoustic phonons generated in surface hot spots and propagating ballistically along [100] in LiF are calculated exactly for the case of scattering by the static strain fields of edge and screw dislocations of Burger's vector $\text{1}\text{2}\text{a [}\text{1}\text{10}\text{]}$. Due to wavevector conservation the screw dislocations are shown not to scatter such phonons at all while the edge dislocations lead to mean-free-paths greater than 12 cm for dislocation densities ?2×10⁸ cm^-2 and frequencies ?5×10¹¹ Hz. This is consistent with the observation by Northrop et al. (1982) of the ballistic propagation of such heat-pulse phonons across deformed crystals of 1 cm dimensions.     

Effect of MeV electron irradiation on the free volume of polyimide

The free volume of the microvoids in the polyimide samples, irradiated with 6 MeV electrons, was measured by the positron annihilation technique. The free volume initially decreased the virgin value from ～13.70 to ～10.98 Å³ and then increased to ～18.11 Å³ with increasing the electron fluence, over the range of 5?×?10¹⁴ – 5?×?10¹⁵ e/cm². The evolution of gaseous species from the polyimide during electron irradiation was confirmed by the residual gas analysis technique. The polyimide samples irradiated with 6 MeV electrons in AgNO₃ solution were studied with the Rutherford back scattering technique. The diffusion of silver in these polyimide samples was observed for fluences >2?×?10¹⁵ e/cm², at which microvoids of size ≥3 Å are produced. Silver atoms did not diffuse in the polyimide samples, which were first irradiated with electrons and then immersed in AgNO₃ solution. These results indicate that during electron irradiation, the microvoids with size ≥3 Å were retained in the surface region through which silver atoms of size ～2.88 Å could diffuse into the polyimide. The average depth of diffusion of silver atoms in the polyimide was ～2.5 μm.