Thermoelectric properties of Bi2SexTe3−x prepared by Bridgman method

Bi₂Se_xTe_3−x crystals with various x values were grown by Bridgman method. The electrical conductivity, σ, was found to decrease with increasing Se content. The highest σ of 1.6 × 10⁵ S m⁻¹ at room temperature was reached at x = 0.12 with a growth rate of 0.8 mm h⁻¹. The Seebeck coefficient, S, was less dependent on Se content, all with positive values showing p-type characteristics, and the highest S was measured to be 240 μV K⁻¹ at x = 0.24. The lowest thermal conductivity, κ, was 0.7 W m⁻¹ K⁻¹ at x = 0.36. The electronic part of κ, κ_el, showed a decrease with increasing Se content, which implies that the hole concentration as the main carriers was reduced by the addition of Se. The highest dimensionless figure of merit, ZT, at room temperature was 1.2 at x = 0.36, which is attributed to the combination of a rather high electrical conductivity and Seebeck coefficient and low thermal conductivity.     

CuIn1−xAlxS2 thin films prepared by sulfurization of metallic precursors

CuIn_1−xAl_xS₂ thin films (x = 0, 0.09, 0.27, 0.46, 0.64, 0.82 and 1) with thicknesses of approximately 1 μm were formed by the sulfurization of DC sputtered Cu-In-Al precursors. All samples were sulfurized in a graphite container for 90 min at 650 °C in a 150 kPa Ar + S atmosphere. Final films were studied via X-ray diffraction (XRD), scanning electron microscopy (SEM) and micro-Raman spectroscopy. It was found that all samples were polycrystalline in nature and their lattice parameters varied slightly nonlinearly from {a = 5.49 Å, c = 11.02 Å} for CuInS₂ to {a = 5.30 Å, c = 10.36 Å} for CuAlS₂. No unwanted phases such as Cu_2−xS or others were observed. Raman were recorded at a room temperature and the most intensive and dominant A₁ phonon frequency varied nonlinearly from 294 cm⁻¹ (CuInS₂) to 314 cm⁻¹ (CuAlS₂).     

Bismuth-containing semiconductors: Linear and nonlinear optical susceptibilities of GaAs1−xBix alloys

Using all electron full potential - linearized augmented plane wave (FP-LAPW) method the linear and nonlinear optical susceptibilities of cubic GaAs_1−xBi_x alloys with x varying between 0.25 and 0.75 with increment of 0.25 are investigated. We have applied the generalized gradient approximation (GGA) for the exchange and correlation potential. In addition the Engel-Vosko generalized gradient approximation (EVGGA) was used. The reflectivity, refractivity, absorption coefficient and the loss function of these ternary alloys were investigated. The absorption coefficient shows that GaAs_0.25Bi_0.75 possess the highest coefficient among the investigated alloys which supports our previous observation that the band gap decreases substantially with increasing Bi content and the materials with very small energy band gap possess the highest absorption coefficient. The investigation of the linear and nonlinear optical susceptibilities of GaAs_1−xBi_x shows a strong band gap reduction as commonly found experimentally.     

Electrical properties of binder-free thick film BaYxBi1−xO3 NTC thermistors

The microstructure and electrical properties of BaY_xBi_1−xO₃ thick film negative temperature coefficient thermistors, fabricated by screen printing, were investigated. The sintered thick films were the single-phase solid solutions of the BaY_xBi_1−xO₃ compounds with a monoclinic structure. The added Y₂O₃ led to a significant decrease in the grain size of the thermistors. The resistivity and coefficient of temperature sensitivity for the BaY_xBi_1−xO₃ (0 ≤ x ≤ 0.15) thick film NTC thermistors decreased first with increasing x in the range of x < 0.04 and then increased with further increase in x.     

Relationships between Zr substitution for Ti and microwave dielectric properties in Mg(ZrxTi1−x)O3 ceramics

The influence of Zr substitution for Ti on the microwave dielectric properties and microstructures of the Mg(Zr_xTi_1−x)O₃(MZ_xT) (0.01 ≤ x ≤ 0.3) ceramics was investigated. The quality factors of Mg(Zr_xTi_1−x)O₃ ceramics with x = 0.01-0.05 were improved because the solid solution of a small amount of Zr⁴⁺ substitution in the B-site could increase density and grain size. An excess of Zr⁴⁺ resulted in the formation of a great deal of secondary phase that declined the microwave dielectric properties of MZ_xT ceramics. The temperature coefficient of resonant frequency (τ_f) of Mg(Zr_xTi_1−x)O₃ ceramics slightly increased with increasing Zr content, and the variation in τ_f was attributed to the formation of secondary phases.     

Effect of the impurity LixNi1−xO on the electrochemical properties of 5 V cathode material LiNi0.5Mn1.5O4

The formation of impurity Li_xNi_1−xO when synthesizing spinel LiNi_0.5Mn_1.5O₄ using solid state reaction method, and its influence on the electrochemical properties of product LiNi_0.5Mn_1.5O₄ were studied. The secondary phase Li_xNi_1−xO emerges at high temperature due to oxygen deficiency for LiNi_0.5Mn_1.5O₄ and partial reduction of Mn⁴⁺ to Mn³⁺ in LiNi_0.5Mn_1.5O₄. Annealing process can diminish oxygen deficiency and inhibit impurity Li_xNi_1−xO. The impurity reduces the specific capacity of product, but it does not have obvious negative effect on cycle performance of product. The capacity of LiNi_0.5Mn_1.5O₄ that contains Li_xNi_1−xO can deliver about 120 mAh g⁻¹.     

First principles study of structural, electronic and magnetic properties of Mg1−xMnxTe alloys

Density functional FP-LAPW + lo calculations have been performed to study the structural, electronic and magnetic properties of Mg_1−xMn_xTe for compositional parameter x = 0.25, 0.50, 0.75 and 1. Our calculations reveal the occurrence of ferromagnetism in these compounds in which the transition-metal atom is ordered in a periodical way thereby interacting directly with the host atoms. Results extracted from electronic band structure and density of states (DOS) of these alloys show the existence of direct energy band gap for both majority- and minority-spin cases, while the total energy calculations confirm the stability of ferromagnetic state as compared to anti-ferromagnetic state. The total magnetic moment for Mg_1−xMn_xTe for each composition is found to be approximately 5 μ_B, which indicates that the addition of Mn content does not affect the hole carrier concentration of the perfect MgTe compound. Moreover, the s-d exchange constant (N₀α) and p-d exchange constant (N₀β) are also calculated which are in accordance with a typical magneto-optical experiment. The estimated spin-exchange splitting energies originated by Mn 3d states energies, i.e. Δ_X(s-d) and Δ_X(p-d), show that the effective potential for minority-spin is more attractive than that of the majority-spin. Also, the p-d hybridization is found to cause the reduction of local magnetic moment of Mn and produce small local magnetic moments on the nonmagnetic Mg and Te sites.     

Structural investigation of thin films of Ti1−xAlxN ternary nitrides using Ti K-edge X-ray absorption fine structure

Thin films of Ti_1−xAl_xN nitrides were prepared over a large range of composition (0 ≤ x < 1) on Si substrates using nitrogen reactive magnetron sputtering from composite metallic targets. Ti K-edge X-ray Absorption Spectroscopy experiments were carried for a better understanding of the local structure. The evolution of the intensity of Ti K-edge pre-edge peak gives evidence of the incorporation of Ti in hexagonal lattice of AlN for Al-rich films and in cubic lattice of TiN for Ti-rich films. An attempt to determine their atomic structure by combining X-ray diffraction and Ti K-edge Extended X-ray Absorption Fine Structure is presented. The evolution of the nearest neighbour and next-nearest neighbour distances depending on the composition is presented and discussed together the cubic and hexagonal lattice parameters. A possible contribution of amorphous nitrides is suggested.     

The studies of phase relation, microstructure, magnetic transition, magnetocaloric effect in (Gd1−xErx)5Si1.7Ge2.3 compounds

The phase relation, microstructure, Curie temperatures (T_C), magnetic transition, and magnetocaloric effect of (Gd_1−xEr_x)₅Si_1.7Ge_2.3 (x = 0, 0.05, 0.1, 0.15, and 0.2) compounds prepared by arc-melting and then annealing at 1523 K (3 h) using purity Gd (99.9 wt.%) are investigated. The results of XRD patterns and SEM show that the main phases in those samples are mono-clinic Gd₅Si₂Ge₂ type structure. With increase of Er content from x = 0 to 0.2, the values of magnetic transition temperatures (T_C) decrease linearly from 228.7 K to 135.3 K. But the (Gd_1−xEr_x)₅Si_1.7Ge_2.3 compounds display large magnetic entropy near their transition temperatures in a magnetic field of 0-2 T. The maximum magnetic entropy change in (Gd_1−xEr_x)₅Si_1.7Ge_2.3 compounds are 24.56, 14.56, 16.84, 14.20, and 13.22 J/kg K⁻¹ with x = 0, 0.05, 0.1, 0.15, and 0.2, respectively.     

Electrochemical behaviors of TiO2−x films synthesized by plasma-based ion implantation and deposition in fibrinogen containing PBS solution

TiO_2−x films were synthesized on carbon by plasma-based ion implantation and deposition (PBII-D). Electrochemical behaviors of the prepared films were investigated in phosphate buffer solution (PBS) and fibrinogen containing PBS solution (PBS(Fn)), to probe charge transfer phenomena between TiO_2−x film and fibrinogen. Electrochemical impedance spectroscopy (EIS) as well as simulated values of equivalent circuit units including reaction resistance and electric double layer has been obtained, indicating different charge transfer rate occurred across the interfaces. The shape of Mott-Schottky spectroscopy around the rest-open potential indicates that TiO_2−x films are typical n-type semiconductor. Donor density results calculated by Mott-Schottky theory show that TiO_2−x films exhibit higher donor density in PBS(Fn) than in PBS, indicating charge transfer from fibrinogen to TiO_2−x films, and the space charge layers bend lower.     

Ba(Ti1 − xSnx)O3 (x = 0.13) nanomaterials produced by low-temperature aqueous synthesis

BaTi_0.87Sn_0.13O₃ (BTS₁₃) nanopowder was prepared by low-temperature aqueous synthesis (LTAS) method. The evolution of the structure and microstructure of the precursor precipitate, heated at temperatures up to 1000 °C was studied by TGA, FT-IR, SEM and XRD techniques. The dried precipitate showed a microstructure consisting of nano-sized grains (∼40 nm) with great tendency to agglomeration. BaTi_0.87Sn_0.13O₃ single phase was obtained at 800 °C. The ceramics prepared from as-obtained BTS₁₃ powders (60-70 nm) show good dielectric and ferroelectric characteristics. The dielectric constant was about 4800 and the dielectric loss (tan δ) was 0.229 at 1 kHz and at the Curie temperature (31 °C). The remanent polarization (P_r) and the coercive field (E_C) of Ba_0.97Ho_0.03TiO₃ ceramics, at 1 kHz, were P_r = 13 μC/cm² and E_C = 0.89 kV/cm. The ferroelectric parameters E_C and P_r decrease with increasing frequency in the domain 100 Hz to 10 kHz.     

Dependence of magnetic properties on the film thickness and Pt atomic fraction of post-annealed Fe1−xPtx-C granular films on MgO(1 0 0) and SiO2/Si(1 0 0) substrates

The Fe_1−xPt_x-C granular films with different Pt atomic fractions (0.09 ≤ x ≤ 0.52) and film thicknesses (5 nm ≤ t ≤ 100 nm) were deposited on MgO(1 0 0) and SiO₂/Si(1 0 0) substrates by facing-target sputtering and post-annealing. With the increasing x, the ordered L1₀ FePt grains form. All of the films are ferromagnetic, and the easy axis is in the film plane. With the decrease of t, the films turn from hard ferromagnetic to soft ferromagnetic. The maximum coercivity of the 100-nm thick Fe_1−xPt_x-C granular films measured at a 10-kOe field is 3.7 kOe at x = 0.48. The coercivity of the Fe_0.56Pt_0.44-C granular films increases, and the magnetization measured at a 10-kOe field decreases with the increasing t. The reversal mechanism of the 100-nm thick Fe_1−xPt_x-C granular films turns from the domain wall motion to the Stoner-Wohlfarth rotation mode as x increases. However, the reversal mechanism of the Fe₅₆Pt₄₄-C granular films with different t approaches the Stoner-Wohlfarth rotation mode, and is film-thickness independent.     

Hot corrosion and oxidation behavior of a novel Pt + Hf-modified γ′-Ni3Al + γ-Ni-based coating

A new type of Pt + Hf-modified γ′-Ni₃Al + γ-Ni-based coating has been developed in which deposition involves Pt electroplating followed by combined aluminizing and hafnizing using a pack cementation process. Cyclic oxidation testing of both Pt + Hf-modified γ′ + γ and Pt-modified β-NiAl coatings at 1150 °C (2102 °F), in air, resulted in the formation of a continuous and adherent α-Al₂O₃ scale; however, the latter developed unwanted surface undulations after thermal cycling. Type I (i.e. 900 °C/1652 °F) and Type II (i.e. 705 °C/1300 °F) hot corrosion behavior of the Pt + Hf-modified γ′ + γ coating were studied and compared to Pt-modified β and γ + β-CoCrAlY coatings. Both types of hot corrosion conditions were simulated by depositing Na₂SO₄ salt on the coated samples and then exposing the samples to a laboratory-based furnace rig. It was found that the Pt + Hf-modified γ′ + γ and Pt-modified β coatings exhibited superior Type II hot corrosion resistance compared to the γ + β-CoCrAlY coating; while the Pt + Hf-modified γ′ + γ and γ + β-CoCrAlY coatings showed improved Type I hot corrosion performance than the Pt-modified β.     

Influence of partial substitution of Ge on crystallization kinetics, microstructure and magnetic property of Fe44Co44−xZr7B5Gex alloys

Partial substitution of Ge for Co in Fe₄₄Co₄₄Zr₇B₅ amorphous alloy is found to have a large influence on crystallization kinetics and magnetic property of the alloy. Activation energy of nanocrystallization of FeCo phase (primary crystallization) decreases by 90 kJ/mol with 4 at.% Ge substitution, while that of precipitations of Zr-type phase from a residual amorphous phase (secondary crystallization) increases by 106 kJ/mol. The suppression of the secondary crystallizations stabilizes the FeCo nanocrystals embedded in the residual amorphous phase for the Fe₄₄Co_44−xZr₇B₅Ge_x until higher temperatures. It is proposed that the stabilization mechanism is attributed to preferential partitioning of Ge in the residual amorphous phase revealed by scanning transmission electron microscopy analysis. Microstructure and coercivity for the annealed alloys are also presented in combination with the effect of the Ge substitutions.     

The photocatalytic activity of sprayed Zn1 − xMgxO thin films

ZnO has received much attention in the degradation and complete mineralization of environmental pollutants. For the purpose of increasing the photocatalytic efficiency of ZnO, Mg was doped into ZnO thin films.Zn_1 − xMg_xO thin films were prepared by spray pyrolysis method on glass substrates. The deposition temperature was 500 °C. Mg concentration was varied in the range of 0.0 to 0.3 in intervals of 0.05. The pure ZnO films were polycrystalline with preferred orientation (100). Zn_1 − xMg_xO becomes amorphous with increasing Mg concentration. The optical band gap of Zn_1 − xMg_xO changes from 3.26 to 3.59 eV with increasing Mg content. Also, the photocatalytic activity increased with Mg, and the film with x = 0.3 showed the best result.     

Phase segregation and its effect on the adhesion of Cr-Al-N coatings on K38G alloy prepared by magnetron sputtering method

Cr_1 − xAl_xN (0 < x < 1) coatings were fabricated by a reactive magnetron sputtering method on a K38G alloy. The composition and microstructure of the coatings were investigated. Phase segregation of cubic AlN was considered in Cr_0.65Al_0.35N using X-ray diffraction analyses. This segregation of cubic AlN from CrAlN matrix might be induced by the high micro-stress. The critical failure load determined by scratch tests of the coating with c-AlN segregation was highest among all the coatings studied in the present work, which indicated that the coating has the best adhesion.     

High sintering resistance of a novel thermal barrier coating

Sintering resistance of a novel thermal barrier coating Nd_xZr_1 − xO_y with Z dissolved in, where 0 < x < 0.5, 1.75 < y < 2 and Z is an oxide of a metal selected from Y, Mg, Ca, Hf and mixtures thereof, was studied. The coatings of Nd_xZr_1 − xO_y and typical 7YSZ were deposited by electron beam physical vapor deposition (EB-PVD) and air plasma spray (APS). The samples with the coating system of EB-PVD Nd_xZr_1 − xO_y or 7YSZ overlaid onto a MCrAlY bond coat were cyclically sintered at 1107 °C for 706 hours. The freestanding coatings of EB-PVD Nd_xZr_1 − xO_y and 7YSZ were isothermally sintered at 1371 °C for 500 hours. The microstructure of EB-PVD Nd_xZr_1 − xO_y before and after the sintering was evaluated and compared with EB-PVD 7YSZ. The sintering resistance of freestanding APS Nd_xZr_1 − xO_y coating was also investigated after isothermal sintering at 1200 °C for 50 and 100 hours. The results demonstrated that the new coatings of Nd_xZr_1 − xO_y applied with both EB-PVD and APS have higher sintering resistance than EB-PVD and APS 7YSZ, respectively.     

Characterization of sol-gel synthesised lead-free (1 − x)Na0.5Bi0.5TiO3-xBaTiO3-based ceramics

The crystal structure, microstructure, dielectric and ferroelectric properties of (1 − x)Na_0.5Bi_0.5TiO₃-xBaTiO₃ ceramics with x = 0, 0.03, 0.05, 0.07 and 0.1 are investigated. A structural variation according to the system composition was investigated by X-ray diffraction (XRD) analyses. The results revealed that the synthesis temperature for pure perovskite phase powder prepared by the present sol-gel process is much lower (800 °C), and a rhombohedral-tetragonal morphotropic phase boundary (MPB) is found for x = 0.07 composition which showing the highest remanent polarization value and the smallest coercive field. The optimum dielectric and piezoelectric properties were found with the 0.93Na_0.5Bi_0.5TiO₃-0.07BaTiO₃ composition. The piezoelectric constant d₃₃ is 120 pC/N and good polarization behaviour was observed with remanent polarization (P_r) of 12.18 pC/cm², coercive field (E_c) of 2.11 kV/mm, and enhanced dielectric properties ?_r > 1500 at room temperature. The 0.93Na_0.5Bi_0.5TiO₃-0.07BaTiO₃-based ceramic is a promising lead-free piezoelectric candidate for applications in different devices.     

Synthesis and characterization of nanocrystalline ZrNxOy thin films on Si by ion plating

Based on the optimum deposition conditions of ZrN thin film from our previous study, by varying oxygen flow rate ranging from 0 to 8 sccm, nanocrystalline ZrN_xO_y thin films were deposited on p-type (100) Si substrates using hollow cathode discharge ion-plating (HCD-IP) system. The objective of this study was to investigate the effect of oxygen content on the composition, structure and properties of the ZrN_xO_y thin films. The oxygen content of the thin film, determined using X-ray photoelectron spectroscopy (XPS), increased with increasing oxygen flow rate. As the oxygen content increased, the color of the ZrN_xO_y thin film changed from golden yellow to blue and then slate blue, and the microstructure observed by scanning electron microscopy (SEM) varied from columnar structure to finer grains and finally flat and featureless structure. Phase separation of ZrN_xO_y to ZrN and monoclinic ZrO₂ was found from X-ray diffraction (XRD) patterns when the oxygen content was higher than 9.7 at.%. The hardness of the film slightly increased as the oxygen content was less than 9.7% and then decreased to 15.7 GPa, a typical hardness of ZrO₂ phase, as the oxygen content further increased. The total residual stress of the film was measured using an optical method, and the residual stresses of ZrN and ZrO₂ phases were determined separately using modified XRD sin²ψ method. The total stress was close to the stress in ZrN phase as the ZrO₂ fraction was less than 30%, and was close to that in ZrO₂ phase as the ZrO₂ fraction was over 30%. The electrical resistivity of the film increased significantly with the increase of oxygen content. The film properties showed consistent trend with phase separation. As the fraction of ZrO₂ phase was small, the apparent properties of the films were more close to those in ZrN. When ZrO₂ fraction was over 30%, the films mainly exhibited the properties of ZrO₂.