Growth of textured nonstoichiometric MoTe2 films from Mo/Te layers and their use as precursor in the synthesis of MoTe2−xSx films

Molybdenum ditelluride, MoTe₂, thin films have been prepared on a glass substrate by depositing first a layer of Mo of 1 μm thickness by rf sputtering and then layers of tellurium of 4 μm thickness followed by annealing, in a vacuum sealed Pyrex tube, at 823 K for one hour. The films have been studied by X-ray diffraction, electron microprobe analysis, scanning electron microscopy and for optical and electrical properties. This indicated that the films so prepared are well crystallized and textured with a hexagonal structure similar to 2H-MoS₂. However, the film is non stoichiometric due to the presence of small amounts of oxygen. The optical properties are in good agreement with those of single crystals and film deposited by other means. The room temperature conductivity is of the same order of magnitude as that of single crystals. Finally, MoTe₂ has been used as a precursor for the growth of MoTe_2−xS_x films.     

A Strength Softening Phase Transition Observed in Shocked （Mg0.92,Fe0.08）SiO3 Perovskite at About 83 GPa

We report the experimental data of Hugoniot longitudinal sound velocity VL for natural （Mg0.92,Fe0.08）SiO3 enstatite sample at about 40-140 GPa, consisting of three new data and five previously reported data but revised by our new Hugoniot equation of state parameters. Three segments, separated by two discontinuities, appear in the VL-PH （shock pressure） plot. Analyses show that the first discontinuity at about 64 GPa, with a sharp increase of VL of about 21%, is judged to be a phase transition from enstatite to Pbnm perovskite （PV）; while the second one at about 83 GPa, with a dramatic decrease of VL of about 23%, is likely caused by a subtle structural change from Pbnm PV to tetragonal PV, accompanied by material strength softening due to melting of oxygen sublattices. This strength softening evidence is obtained first from shock wave experiments, and probably has profound implications for probing into the origin of low seismic velocity anomaly in the Earth＇s lower mantle and thus constraining the geophysical and geochemical models for the Earth＇s lower mantle.     

Elasticity and thermodynamic properties of RuB2 under pressure

First-principles calculations of the crystal structure and the elastic properties of RuB₂ have been carried out with the plane-wave pseudopotential density functional theory method. The calculated values are in very good agreement with experimental data as well as with some of the existing model calculations. The elastic constants c_ij, the aggregate elastic moduli (B, G, E), Poisson's ratio, and the elastic anisotropy with pressure have been investigated. Through the quasi-harmonic Debye model considering the phonon effects, the isothermal bulk modulus, the thermal expansions, Grüneisen parameters, and Debye temperatures depending on the temperature and pressure are obtained in the whole pressure range from 0 to 60 GPa and temperature range from 0 to 1100 K as well as compared to available data.     

Structural phase transition (zincblende-rocksalt) and elastic properties in AlY (Y=N, P and As) compounds: Pressure-induced effects

The present paper addresses the pressure-induced structural aspects of ZnS-type (B3) to NaCl-type (B1) structure in AlY (Y=N, P, As). An effective-interionic interaction potential (EIoIP) with long-range Coulomb and three-body interactions and the Hafemeister-and-Flygare-type short-range overlap repulsion extended up to the second-neighbour ions and the van der Waals (vdW) interaction is developed. Emphasis has been given on evaluating the vdW coefficients by the Slater-Kirkwood variational method, as both the ions are polarizable. The lattice model calculations have revealed reasonably good agreement with the available experimental data on the phase-transition pressures (P_t=16, 14, 7.5 GPa) and the elastic properties of AlY (Y=N, P, As). The equation of state curves (plotted between V(P)/V(0) and pressure) for both the B3 and B1 structures obtained are in fairly good agreement with the experimental results. The calculated values of the volume collapses [ΔV(P)/V(0)] are also close to their observed data. Further, the variations of the second-order elastic constants with pressure follow a systematic trend that is almost identical to that exhibited by the observed data measured for other semiconducting compounds with B3→B1 structural phase transitions.     

Ultrasonic measurement of anisotropy and temperature dependence of elastic parameters by a dry coupling method applied to a 6061-T6 alloy

A pulse-echo ultrasonic method is presented to measure elastic parameter variations during thermal loading with high accuracy. Using a dry coupling configuration dedicated to high temperature investigation, this technique has been applied on 6061-T6 aluminium samples up to 220 °C. Experimental settings are described to assess the measurement reproducibility estimated at a value of 0.2%. Consequently, the anisotropy of this aluminium between the rolling direction and two orthogonal axes has been clearly detected and also measured versus temperature. As regards the temperature dependence of these elastic parameters, these results are compared with the estimations of the Young’s modulus obtained during mechanical tests in conditions of low cycle fatigue (LCF). The same linear variation versus temperature is found but with a shift of 7 GPa. This difference has been classically attributed to systematic experimental error sources and to the distinction existing between dynamic and static elastic modulus.     

Static and vibrational properties of equiatomic Na-based binary alloys

The computations of the static and vibrational properties of four equiatomic Na-based binary alloys viz. Na_0.5Li_0.5, Na_0.5K_0.5, Na_0.5Rb_0.5 and Na_0.5Cs_0.5, to second order in local model potential is discussed in terms of real-space sum of Born von Karman central force constants. The local field correlation functions due to Hartree (H), Ichimaru-Utsumi (IU) and Sarkar et al. (S) are used to investigate the influence of the screening effects on the aforesaid properties. Results for the lattice constants C₁₁, C₁₂, C₄₄, C₁₂-C₄₄, C₁₂/C₄₄ and bulk modulus B obtained using the H-local field correction function have higher values in comparison with the results obtained for the same properties using IU- and S-local field correction functions. The results for the Shear modulus (C′), deviation from Cauchy's relation, Poisson's ratio σ, Young modulus Y, propagation velocity of elastic waves, phonon dispersion curves and degree of anisotropy A are highly appreciable for the four equiatomic Na-based binary alloys.     

High-pressure and optical properties of lanthanum magnesium hexa-aluminate doped with Mn (LMA:Mn) laser material

The effect of hydrostatic pressure on the emission spectra and fluorescence lifetime (τ) of Mn²⁺ in LaMgAl₁₁O₁₉ (LMA) crystals up to 101 kbar has been studied at room temperature. From the position of the peak (⁴T₁ → ⁶A₁ transition) in the emission spectra, we estimated that the pressure induced red-shift. A variation, slowly decreasing, in the fluorescence lifetime (τ) values for ⁴T₁ → ⁶A₁ transition was observed. The pressure-induced red-shift and lifetime variation could be described by simple models. In the considered pressure range (0-101 kbar), a good agreement between the experimental values and theoretically predicted values was obtained.     

Theoretical investigations of structural, elastic and thermodynamic properties for PtN2 under high pressure

We have investigated structural and elastic properties of PtN₂ under high pressures using norm-conserving pseudopotentials within the local density approximation (LDA) in the frame of density-functional theory. Calculated results of PtN₂ are in agreement with experimental and available theoretical values. The a/a₀, V/V₀, ductility/brittleness, elastic constants C_ij, shear modulus C′, bulk modulus B, shear modulus G, Young's modulus E, Poisson's ratio σ and anisotropy factor A as a function of applied pressure are presented. Through the quasi-harmonic Debye model, we also study thermodynamic properties of PtN₂. The thermal expansion versus temperature and pressure, thermodynamic parameters X (X=Debye temperature or specific heat) with varying pressure P, and heat capacity of PtN₂ at various pressures and temperatures are estimated.     

Effect of the mechanical stretching on the ferroelectric properties of a (VDF/TrFE) (75/25) copolymer film

The transition phase behaviour of a vinylidene fluoride-trifluoroethylene (VDF-TrFE) copolymer film was studied after being subjected to different mechanical stretching levels in both longitudinal (L) and transversal (T) directions relatively to the initial extrusion direction. Both ferroelectric-paraelectric (FE-PE) and melting transitions were detected in the films by differential scanning calorimetry, that were not affected by L stretching. This suggests that sliding mechanism along the c-axis of such films during plastic deformation influences slightly the all-trans chain conformations and the CF₂ dipole orientation. On the other hand, the FE-PE peak decreases in area and temperature upon T stretching, indicating a damage of the ferroelectric phase. However, the melting peak maintains unchanged. This fact provides evidence that the mechanical stretching do not change the total degree of crystallinity. The results suggest that the stretching induces a FE-PE phase transformation, without affecting the degree of crystallinity.     

On the observation of a huge lattice contraction and crystal habit modifications in LiMn2O4 prepared by a fuel assisted solution combustion

Two batches of poly-crystalline lithium manganate were prepared by a fuel assisted solution combustion method. LiMn₂O₄(S) was prepared using starch as the fuel and LiMn₂O₄(P) was prepared using poly vinyl alcohol (PVA) as the fuel. XRD studies indicated a significant and consistent shift in the 2θ values of all the hkl peaks to higher values in LiMn₂O₄(P) compared to LiMn₂O₄(S) indicating a lattice contraction in the former. TG/DTA studies indicated a higher formation temperature (∼25 °C higher) for LiMn₂O₄(P). The higher formation temperature most likely promotes the oxidation of some Mn³⁺ to Mn⁴⁺ with a lower ionic radius causing a lattice contraction. This hypothesis is confirmed through XPS studies which indicated the presence of a higher fraction of Mn⁴⁺ in LiMn₂O₄(P) than that present in LiMn₂O₄(S). A crystal shape algorithm was used to generate the crystal habits of lithium manganate from their XRD data leading to an understanding on the exposed hkl planes in these materials. From the atomic arrangement on the exposed hkl planes it is predicted that LiMn₂O₄(P) would be less prone to manganese dissolution and hence would possess a higher cycle life when compared to LiMn₂O₄(S).     

Studies on optical, mechanical and transport properties of NLO active l-alanine formate single crystal grown by modified Sankaranarayanan-Ramasamy (SR) method

Bulk single crystals of l-alanine formate of 10 mm diameter and 50 mm length have been grown with an aid of modified Sankaranarayanan-Ramasamy (SR) uniaxial crystal growth method within a period of ten days. The optical properties of the grown crystal were calculated from UV transmission spectral analysis. The second harmonic generation efficiency of the grown crystal was confirmed by Kurtz powder test. In order to determine the mechanical strength of the crystal, Vicker’s microhardness test was carried along the growth plane (0 0 1). Dielectric studies reveal that both dielectric constant and dielectric loss decreases with increase in frequency. Photoconductivity study confirms the negative photoconducting nature of the crystal.     

Simultaneous measurement with one-capture of the two in-plane components of displacement by electronic speckle pattern interferometry

We present the simultaneous measurement of the two in-plane displacement components by electronic speckle pattern interferometry with three object beams and without an in-line reference beam. Three interference fringe patterns, corresponding to three different sensitivity vectors, are recorded in a single interferogram and separated by means of the Fourier transform method. Then, two interference fringe patterns are selected to obtain the in-plane displacement components.     

Stress induced preferred orientation and phase transition for ternary WCxNy thin films

We deposit ternary WC_xN_y thin films on Si (1 0 0) substrates at 500 °C using direct current (DC) reactive magnetron sputtering in a mixture of CH₄/N₂/Ar discharge, and explore the effects of substrate bias (V_b) on the intrinsic stress, preferred orientation and phase transition for the obtained films by virtue of X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and selective area electron diffraction (SAED). We find that with increasing the absolute value of V_b up to 200 V the carbon (x) and nitrogen (y) atom concentrations of WC_xN_y films keep almost constant with the values of 0.75 and 0.25, respectively. The XPS and SAED results, combined with the density-functional theory (DFT) calculations on the electronic structure of WC_0.75N_0.25, show our obtained WC_xN_y films are single-phase of carbonitrides. Furthermore, we find that the compressive stress sharply increases with increasing the absolute value of V_b, which leads to a pronounced change in the preferred orientation and phase structure for the film, in which a phase transition from cubic β-WC_xN_y to hexagonal α-WC_xN_y occurs as V_b is in the range of −40 to −120 V. In order to reveal the relationship between the stress and phase transition as well as preferred orientation, the DFT calculations are used to obtain the elastic constants for β-WC_xN_y and α-WC_xN_y. The calculated results show that the preferred orientation is dependent on the competition between strain energy and surface energy, and the phase transition can be attributed to a decrease in the strain energy.     

Acoustic behaviour of high pressure air-filled porous media

This paper deals with the acoustic behaviour of porous media when the saturating fluid is high pressured. These observations are performed by ultrasonic transmission through a porous sample with variations of the static pressure of the saturating fluid. Previous works have experimentally demonstrated that a high frequency asymptotic equivalent fluid model allows to model the behaviour of such media for low pressure (between 0.2 and 6 bars). In this paper, in order to characterize high damping materials, measurements are performed for higher static pressure (up to 18 bars). It is shown that the behaviour of transmission coefficient and speed with pressure follows Biot’s theory. Moreover, measurements are dependant on temperature variations. Temperature variations have been accounted for in this study, but this does not explain entirely the high sensitivity of the transmission coefficient with static pressure. It remains that the mechanical properties of the porous medium vary strongly with the thermodynamic variables.     

Equation of state of cubic hafnium(IV) nitride having Th3P4 -type structure

Pressure dependence of the specific volume, V(P), of the recently discovered high-pressure compound Hf₃N₄ having cubic Th₃P₄-type structure (c- Hf₃N₄) has been measured at room temperature up to 43.9 GPa in a diamond anvil cell using energy-dispersive X-ray powder diffraction combined with synchrotron radiation. A least-square fit of the Birch-Murnaghan equation of state to the experimental V(P)-data yielded for c- Hf₃N₄ the bulk modulus of and its first pressure derivative of . For fixed at 4 the bulk modulus of c- Hf₃N₄ was determined to be . The obtained B₀-value is only insignificantly below that estimated in preliminary measurements. Existing theoretical predictions for B₀ scatter around the present experimental data. The observation of a high bulk modulus of c- Hf₃N₄ supports the suggestion that this compound could have high hardness.     

Spectroscopic investigation of the physicochemical origin of the spontaneous delamination of the sputtered amorphous carbon nitride films

We present in this study a spectroscopic investigation of the delamination of the amorphous carbon nitride (a-CN_x) films deposited by RF magnetron sputtering of a graphite target in Ar/N₂ gas mixture. The microstructure of the studied films have been analysed prior and after their delamination. The origin of the observed spontaneous delamination have been elucidated in terms of chemical reactions between water and CN bonds at the a-CN_x/Si interface, which support delamination crack advance.     

Formation of amorphous sapphire by a femtosecond laser pulse induced micro-explosion

We report on structural characterization of void-structures created by a micro-explosion at the locus of a tightly focused femtosecond laser pulse inside the crystalline phase of Al₂O₃ (R3c space group). The transmission electron microscopy (TEM), micro-X-ray diffraction (XRD) analysis, and Raman scattering revealed a presence of strongly structurally modified amorphous regions around the void-structures. We discuss issues of achieving the required resolution for structural characterization and assignment of newly formed phases of nano-crystallites by TEM, XRD, and Raman scattering from micro-volumes of modified materials enclosed inside the bulk of the host phase.     

Forming abilities of monatomic chains of several fcc and bcc metals in different crystallographic orientations

The forming abilities of monatomic chains (MC) of several fcc and bcc metals stretched in three principal crystallographic orientations of [1 1 1], [1 0 0] and [1 1 0] are analyzed in terms of a ratio between Peierls stress of a bulk crystal with dislocations (τ_p) and theoretical shear stress of a monatomic chain (τ_m). It is found that the structure and orientation dependent τ_m/τ_p values are proportional to the forming abilities of MC while τ_m/τ_p is a function of Possion's ratio ν. The above considerations are in agreement with known experimental and simulation results of Au. In addition, Nb as a candidate for MC formation is suggested.     

High resistive ferrite films by a solution process for electromagnetic compatible (EMC) devices

Mn-Zn ferrite films with high resistivity and good noise suppressing ability for use as ‘coupling-type noise suppressors’ have been prepared by the spin-spray ferrite plating. The as-prepared films were crystalline and exhibited single-phase spinel structure. The films had an ‘integrated nano-columnar’ morphology that resulted in a very high resistivity. Further, by varying the chemical composition, films with varying resistivity were prepared and then heat treated at 260 °C for 3 min, similar to that of the reflow soldering process. The reflection and transmission coefficients, S₁₁ and S₂₁ parameters, on coplanar micro-strip line (50 Ω) were measured for the as-prepared and heat-treated films in order to study the effect of heat treatment. When the resistivity was above 2×10⁵ Ω/sq, S₁₁ and S₂₁ exhibited uniform profiles throughout the measurement frequency (50 MHz-10 GHz), which is ideal for the ‘coupling-type’ noise suppressor. These films retain a moderately high resistivity and hence do not show the downshift in the stopband frequency even after the heat treatment (reflow soldering process).     

Effect of graded interlayer on the mode I edge delamination by residual stresses in multilayer coating-based systems

The mode I edge delamination could be initiated due to the presence of the interfacial peeling stresses near the edges of the multilayered systems due to the material mismatches between the adjacent layers. However, the exact peeling stress distributions could not be obtained by using the existing analytical and numerical models. It was proposed recently that the peeling moment resulting from the localized peeling stresses could be used to characterize mode I edge delamination. In this paper, the effect of the graded interlayer on the mode I edge delamination by thermal residual stresses in multilayer coating-based systems was investigated. Following the previous analysis approaches, the exact closed-form solutions for the peeling moments at individual interfaces and the curvatures for bilayer system, typical thermal barrier coating (TBC) system and TBC-based system with a graded interlayer inserted between the metallic layer and the ceramic layer were, respectively, derived. Case studies showed that the edge delamination by thermal stress could be impeded by properly selecting the coating materials and individual layer thicknesses. These studies may provide some important insights for developing fail-safe designing methodologies for multilayered systems.