Structural and Electrical Properties of Ag/<Emphasis Type="Italic">n</Emphasis>-TiO<Subscript>2</Subscript>/<Emphasis Type="Italic">p</Emphasis>-Si/Al Heterostructure Fabricated by Pulsed Laser Deposition Technique

We have investigated the structural and electrical characteristics of the Ag/n-TiO₂/p-Si/Al heterostructure. Thin films of pure TiO₂ were deposited on p-type silicon (100) by optimized pulsed laser ablation with a KrF-excimer laser in an oxygen-controlled environment. X-ray diffraction analysis showed the formation of crystalline TiO₂ film having a tetragonal texture with a strong (210) plane as the preferred direction. High purity aluminium and silver metals were deposited to obtain ohmic contacts on p-Si and n-TiO₂, respectively. The current–voltage (I–V) characteristics of the fabricated heterostructure were studied by using thermionic emission diffusion mechanism over the temperature range of 80–300 K. Parameters such as barrier height and ideality factor were derived from the measured I–V data of the heterostructure. The detailed analysis of I–V measurements revealed good rectifying behavior in the inhomogeneous Ag/n-TiO₂/p-Si(100)/Al heterostructure. The variations of barrier height and ideality factor with temperature and the non-linearity of the activation energy plot confirmed that barrier heights at the interface follow Gaussian distributions. The value of Richardson’s constant was found to be 6.73 × 10⁵ Am^?2 K^?2, which is of the order of the theoretical value 3.2 × 10⁵ Am^?2 K^?2. The capacitance–voltage (C–V) measurements of the heterostructure were investigated as a function of temperature. The frequency dependence (Mott–Schottky plot) of the C–V characteristics was also studied. These measurements indicate the occurrence of a built-in barrier and impurity concentration in TiO₂ film. The optical studies were also performed using a UV–Vis spectrophotometer. The optical band gap energy of TiO₂ films was found to be 3.60 eV.     

Optical Properties of K<Subscript>2</Subscript>O-Li<Subscript>2</Subscript>O-WO<Subscript>3</Subscript>-B<Subscript>2</Subscript>O<Subscript>3</Subscript> Glasses: Evidence of Mixed Alkali Effect

Glass with compositions xK₂O-(30 ? x)Li₂O-10WO₃-60B₂O₃ for 0 ≤ x ≤ 30 mol.% have been prepared using the normal melt quenching technique. The optical reflection and absorption spectra were recorded at room temperature in the wavelength range 300–800 nm. From the absorption edge studies, the values of the optical band gap (E _opt) and Urbach energy (ΔE) have been evaluated. The values of E _opt and ΔE vary non-linearly with composition parameter, showing the mixed alkali effect. The dispersion of the refractive index is discussed in terms of the single oscillator Wemple Di-Domenico model.     

Microwave Dielectric Properties of BiCu<Subscript>2</Subscript>PO<Subscript>6</Subscript> Ceramics with Low Sintering Temperature

A BiCu₂PO₆ microwave dielectric ceramic was prepared using a solid-state reaction method. As the sintering temperature increased from 800°C to 880°C, the bulk density of BiCu₂PO₆ ceramic increased from 6.299 g/cm³ to 6.366 g/cm³; the optimal temperature was 860°C. The best microwave dielectric properties [permittivity (? _r ) = ～16, a quality factor (Q × f) = ～39,110 GHz and a temperature coefficient of resonant frequency (τ _f ) = ～?59 ppm/°C] were obtained in the ceramic sintered at 860°C for 2 h. Then, TiO₂ with a positive τ _f (～+400 ppm/°C) was added to compensate the τ _f value. The composite material was found to have a near-zero τ _f (+2.7 ppm/°C) and desirable microwave properties (? _r  = 19.9, Q × f = 24,885 GHz) when synthesized at a sintering temperature of 880°C. This system could potentially be used for low-temperature co-fired ceramics technology applications.     

Crystal Growth,Structure, and Stoichiometry of the Superconducting Pyrochlore Cd<Subscript>2</Subscript>Re<Subscript>2</Subscript>O<Subscript>7</Subscript>

We report single-crystal growth of the superconducting pyrochlore Cd₂Re₂O₇ using a vapor transport technique. Several parameters of the growth conditions, including hot-zone temperature and starting stoichiometry, were varied in order to control the formation of ReO₂ inclusions, as confirmed by the electron microscopy, resistivity, and magnetic susceptibility measurements. The Rietveld refinement of x-ray (neutron) powder diffraction was found to be consistent with a cubic structure Fd3m with lattice constant a = 10.2250 (10.2358) Å and reduced coordinate of O1 = 0.3184 (0.3177) at 293 K (250 K). We also studied the oxygen stoichiometry by means of redox reactions, electron microprobe analysis (EMPA), and x-ray/neutron diffractions. Particularly, the neutron powder diffraction on the ¹¹⁴Cd-enriched specimens yielded an oxygen deficiency δ = 0.14 ± 0.03 solely at the O2 site, which was consistent with the EMPA results. The EMPA indicated that the oxygen deficiency is homogeneous in the bulk and in a range of 0.01 ± 0.18–0.23 ± 0.19.     

Effects of Nb Content on the Ferroelectric and Dielectric Properties of Nb/Nd-Co-doped Bi<Subscript>4</Subscript>Ti<Subscript>3</Subscript>O<Subscript>12</Subscript> Thin Films

Nd/Nb-co-substituted Bi_3.15Nd_0.85Ti_3?x Nb _x O₁₂ (BNTN _x , x = 0.01, 0.03, 0.05 and 0.07) thin films were grown on Pt/Ti/SiO₂/Si (100) substrates by chemical solution deposition. The effects of Nb content on the micro-structural, dielectric, ferroelectric, leakage current and capacitive properties of the BNTN _x thin films were investigated. A low-concentration substitution with Nb ions in BNTN _x can greatly enhance its remanent polarization (2P _r) and reduce the coercive field (2E _c) compared with those of Bi₄Ti₃O₁₂ (BIT) thin film. The highest 2P _r (71.4 μC/cm²) was observed in the BNTN_0.03 thin film when the 2E _c was 202 kV/cm. Leakage currents of all the films were on the order of 10^?6 to 10^?5 A/cm², and the BNTN_0.03 thin film has a minimum leakage current (2.1 × 10^?6 A/cm²) under the high electric field (267 kV/cm). Besides, the C–V curve of the BNTN_0.03 thin film is the most symmetrical, and the maximum tunability (21.0%) was also observed in this film. The BNTN_0.03 thin film shows the largest dielectric constant and the lowest dielectric loss and its maximum Curie temperature is 410 ± 5°C.     

Magnetic susceptibility of Bi<Subscript>2</Subscript>Te<Subscript>3</Subscript>-Sb<Subscript>2</Subscript>Te<Subscript>3</Subscript> alloys

The magnetic susceptibility of Czochralski-grown single crystals of Bi₂Te₃-Sb₂Te₃ alloys containing 0, 10, 25, 40, 50, 60, 65, 70, 80, 90, 99.5, or 100 mol % Sb₂Te₃ has been investigated. The magnetic susceptibility of these crystals was determined at the temperature T = 291 K and the magnetic field H oriented parallel (χ_‖) and perpendicularly (χ_⊥) to the trigonal crystallographic axis C ₃. A complicated concentration dependence of the anisotropy of magnetic susceptibility χ_‖/χ_⊥ has been revealed. The crystals with the free carrier concentration p ≈ 5 × 10¹⁹ cm^?3 do not exhibit anisotropy of magnetic susceptibility. The transition to the isotropic magnetic state occurs for the compositions characterized by a significantly increased (from 200 to 300 meV) optical bandgap.     

Theoretical Study of Electronic Structure and Thermoelectric Properties of Doped CuAlO<Subscript>2</Subscript>

The doping level dependence of thermoelectric properties of delafossite CuAlO₂ has been investigated in the constant scattering time (τ) approximation, starting from the first principles of electronic structure. In particular, the lattice parameters and the energy band structure were calculated using the total energy plane-wave pseudopotential method. It was found that the lattice parameters of CuAlO₂ are a = 2.802 Å and c = 16.704 Å, and the internal parameter is u = 0.1097. CuAlO₂ has an indirect band gap of 2.17 eV and a direct gap of 3.31 eV. The calculated energy band structures were then used to calculate the electrical transport coefficients of CuAlO₂. By considering the effects of doping level and temperature, it was found that the Seebeck coefficient S(T) increases with increasing acceptor doping (A _d) level. The values of S(T) in our experiments correspond to an A _d level at 0.262 eV, which is identified as the Fermi level of CuAlO₂. Based on our experimental Seebeck coefficient and the electrical conductivity, the constant relaxation time is estimated to be 1 × 10^?16 s. The power factor is large for a low A _d level and increases with temperature. It is suggested that delafossite CuAlO₂ can be considered as a promising thermoelectric oxide material at high doping and high temperature.     

Effect of the magnetic phase transition on the charge transport in layered semiconductor ferromagnets TlCrS<Subscript>2</Subscript> and TlCrSe<Subscript>2</Subscript>

TlCrS₂ and TlCrSe₂ crystals were synthesized by solid-state reaction. X-ray diffraction analysis showed that TlCrS₂ and TlCrSe₂ compounds crystallize in the hexagonal crystal system with lattice parameters a = 3.538 Å, c = 21.962 Å, c/a ≈ 6.207, z = 3; a = 3.6999 Å, c = 22.6901 Å, c/a ≈ 6.133, z = 3; and X-ray densities ρ _x = 6.705 and 6.209 g/cm³, respectively. Magnetic and electric studies in a temperature range of 77–400 K showed that TlCrS₂ and TlCrSe₂ are semiconductor ferromagnets. Rather large deviations of the experimental effective magnetic moment of TlCrS₂ (3.26 μ_B) and TlCrSe₂ (3.05 μ_B) from the theoretical one (3.85 μ_B) are attributed to two-dimensional magnetic ordering in the paramagnetic region of strongly layered ferromagnets TlCrS₂ and TlCrSe₂. The effect of the magnetic phase’s transition on the charge transport in TlCrS₂ and TlCrSe₂ is detected.     

Study of Critical Behavior in Amorphous Fe<Subscript>85</Subscript>Sn<Subscript>5</Subscript>Zr<Subscript>10</Subscript> Alloy Ribbon

We have investigated the critical behavior in amorphous Fe₈₅Sn₅Zr₁₀ alloy ribbon prepared using a single-roller melt-spinning method. This alloy shows a second-order magnetic transition from paramagnetic to ferromagnetic (FM) state at the Curie temperature T _C (～306 K). To obtain more information on the features of the magnetic transition, a detailed critical exponent study was carried out using isothermal magnetization M (H, T) data in the vicinity of the T _C. Modified Arrott plot, Kouvel–Fisher plot, Widom’s scaling relation and critical isotherm analysis techniques were used to investigate the critical behavior of this alloy system around its phase transition point. The values of critical exponents determined using the above methods are self-consistent. The estimated critical exponents are fairly close to the theoretical prediction of the three-dimensional (3D) Heisenberg model, implying that short-range FM interactions dominate the critical behavior in amorphous Fe₈₅Sn₅Zr₁₀ alloy ribbon.     

Photoconductivity of the Pb<Subscript>0.75</Subscript>Sn<Subscript>0.25</Subscript>Te:In alloy in an alternating electric field

Kinetics of variations in the components of total impedance for single-crystal Pb_0.75Sn_0.25Te:In samples is investigated upon switching on and switching off of the illumination source at temperature 4.2 K and frequency 10⁶ Hz. The calculation carried out in the context of representation of equivalent circuits showed that the parameters of a parallel R _p C _p chain, which approximates the sample behavior, correlate strictly. In the region of low resistances R _p , the values of C _p increase abruptly following the law C _p ∝ R _p ^?2 . It is of no importance what method of decreasing the resistance is used—heating of the sample or its illumination at low temperature. The obtained results were analyzed taking into account the contribution of the impurity subsystem to conductivity and the possible manifestation of Maxwell-Wagner-type effects.     

Effect of ZnO Nanoparticles on the Sintering Behavior and Physical Properties of Bi<Subscript>0.5</Subscript>(Na<Subscript>0.8</Subscript>K<Subscript>0.2</Subscript>)<Subscript>0.5</Subscript>TiO<Subscript>3</Subscript> Lead-Free Ceramics

Sintered Bi_0.5(Na_0.8K_0.2)_0.5TiO₃ + x wt.% ZnO nanoparticle (BNKT–xZnO_n) ceramics have been fabricated by conventional annealing with the aid of ultrasound waves for preliminary milling. Because of the presence of the liquid Bi₂O₃–ZnO phase at the eutectic point of 738°C, the sintering temperature decreased from 1150°C to 1000°C, and the morphology phase boundary of BNKT–xZnO_n ceramics can be clarified by two separated peaks at (002)_T and (200)_T of 2θ in the x-ray diffraction (XRD) patterns. The improvement of ferroelectric properties has been obtained for BNZT–0.2 wt.% ZnO_n ceramics by the increase of remanent polarization up to 20.4 μC/cm² and a decrease of electric coercive field down to 14.2 kV/cm. The piezoelectric parameters of the ceramic included a piezoelectric charge constant of d ₃₁ = 78 pC/N; electromechanical coupling factors k _p = 0.31 and k _t = 0.34, larger than the values of 42 pC/N, 0.12 and 0.13, respectively, were obtained for the BNKT ceramics.     

Electrical properties of Zinc-Tin diarsenide (ZnSnAs<Subscript>2</Subscript>) irradiated with H<Superscript>+</Superscript> ions

The results of studying the electrical properties and isochronous annealing of p-ZnSnAs₂ irradiated with H⁺ ions (energy E = 5 MeV, dose D = 2 × 10¹⁶ cm^?2) are reported. The limiting electrical characteristics of irradiated material (the Hall coefficient R _H (D)_lim ≈ ?4 × 10³ cm³ C^?1, conductivity σ (D)_lim ≈ 2.9 × 10^?2 Ω^?1 cm^?1, and the Fermi level position F _lim ≈ 0.58 eV above the valence-band top at 300 K) are determined. The energy position of the “neutral” point for the ZnSnAs₂ compound is calculated.     

Effect of copper doping on kinetic phenomena in <Emphasis Type="Italic">n</Emphasis>-Bi<Subscript>2</Subscript>Te<Subscript>2.85</Subscript>Se<Subscript>0.15</Subscript>

In single crystals of copper-doped and undoped Bi₂Te_2.85Se_0.15 solid solutions with an electron concentration close to 1 × 10¹⁹ cm^?3, the temperature dependences are investigated for the Hall (R ₁₂₃, R ₃₂₁) and Seebeck (S ₁₁) kinetic coefficients, the electrical-conductivity (σ ₁₁), Nernst-Ettingshausen (Q ₁₂₃), and thermalconductivity (k ₁₁) coefficients in the temperature range of 77–400 K. The absence of noticeable anomalies in the temperature dependences of the kinetic coefficients makes it possible to use the one-band model when analyzing the experimental results. Within the framework of the one-band model, the effective mass of density of states (m _d ≈ 0.8m ₀), the energy gap (ε_g ≈ 0.2 eV), and the effective scattering parameter (r _eff ≈ 0.2) are estimated. The obtained value of the parameter r _eff is indicative of the mixed electron-scattering mechanism with the dominant scattering by acoustic phonons. Data on the thermal conductivity and the lattice resistivity obtained by subtracting the electron contribution according to the Wiedemann-Franz law are presented.     

Thermoelectric Properties for a Suspended Microribbon of Quasi-One-Dimensional TiS<Subscript>3</Subscript>

Transition-metal trichalcogenides MX₃ (M = Ti, Zr, Nb, Ta; X = S, Se) are well-known inorganic quasi-one-dimensional conductors. Among them, we have investigated the thermoelectric properties of titanium trisulfide TiS₃ microribbon. The electrical resistivity ρ, thermal conductivity κ, and thermoelectric power S were measured using 3ω method. The weight mean values were found to be ρ = 5 mω m and κ = 10 W K^?1 m^?1 along the one-dimensional direction (b-axis) of the TiS₃ microribbon. Combined with the thermoelectric power S = ?530 μV K^?1, the figure of merit was calculated as ZT = 0.0023. This efficiency is the same as that of randomly oriented bulk TiS₃. We also estimated the anisotropy of σ and κ using the present results and those for randomly oriented bulk material. The obtained weak anisotropy for TiS₃ is attributable to strong coupling between triangular columns consisting of TiS₃ units. These experimental results are consistent with theoretical results obtained using density functional theory (DFT) calculations.     

Ultra-Low Loss Microwave Dielectric Ceramic Li<Subscript>2</Subscript>Mg<Subscript>2</Subscript>TiO<Subscript>5</Subscript> and Low-Temperature Firing Via B<Subscript>2</Subscript>O<Subscript>3</Subscript> Addition

Li₂Mg₂TiO₅, a rock-salt structured ceramic fabricated by a solid-state sintering technique, was characterized at the microwave frequency band. As a result, a microwave dielectric permittivity (ε_r) of 13.4, a quality factor of 95,000 GHz (at 11.3 GHz), and a temperature coefficient of resonance frequency (τ_f) of ? 32.5 ppm/°C have been obtained at 1320°C. Li₂Mg₂TiO₅ ceramics have low permittivity, a broad processing temperature region, and a low loss, making them potential applications in millimeter-wave devices. Furthermore, B₂O₃ addition efficiently lowered the sintering temperature of Li₂Mg₂TiO₅ to 900°C, which opens up their possible applications in low-temperature co-fired ceramics (LTCC) technology.     

Specific thermoelectric properties of lightly doped Bi<Subscript>2</Subscript>(TeSe)<Subscript>3</Subscript> solid solutions

Electrical and thermoelectric properties of a lightly doped n-Bi₂Te_2.7Se_0.3 solid solution have been studied in the temperature range 77–300 K. The results are compared with data for the compound PbTe_0.9Se_0.1 with a similar magnitude of the Seebeck coefficient S at 84 K. Along with lower thermal conductivity, Bi₂Te_2.7Se_0.3 has a higher electrical conductivity σ and a much weaker temperature dependence. As a result, the power coefficient S ²σ in optimal samples begins to decrease only when the density of minority carriers becomes significant. In this case, |S| considerably exceeds the standard value of 200 μV/K. The reduction of the electron density reduces the thermoelectric figure of merit Z at its maximum and slightly lowers the temperature of the maximum; therefore, the expected effect on the average value of Z in the range 77–300 K is absent. Similar behavior is observed in Bi₂Te_2.88Se_0.12, although the effect is less pronounced. The experimental results are discussed taking into account possible changes in the dominant scattering mechanisms, carrier density, and electron energy spectrum. __________ Translated from Fizika i Tekhnika Poluprovodnikov, Vol. 38, No. 7, 2004, pp. 811–815. Original Russian Text Copyright ? 2004 by Konstantinov, Prokof’eva, Ravich, Fedorov, Kompaniets.     

Structural,Mechanical and Thermodynamic Properties of Cu<Subscript>2</Subscript>CoXS<Subscript>4</Subscript> (X = Si,Ge, Sn) Studied by Density Functional Theory

We have investigated the Structural, mechanical and thermodynamic properties of Cu₂CoXS₄ (X = Si, Ge, Sn) by using the density functional theory method. In this paper, we used GGA-PBE functional to find the equilibrium structural parameters and to calculate the elastic properties. The Mulliken population analysis indicates the bonds between S atoms and other three atoms in Cu₂CoXS₄ (X = Si, Ge, Sn) exhibit the feature of covalent bond. Furthermore, the calculated elastic constants prove the mechanical stability of Cu₂CoXS₄ (X = Si, Ge, Sn) in I\(\bar 4\)2m structure. The results are given for B/G and A ^U reveal Cu₂CoXS₄ (X = Si, Ge, Sn) can behave as a ductile and elastic material. Finally, the heat capacity, thermal expansion, entropy and Debye temperature are also reported at the different pressures (0~50 GPa) and temperatures (0~1000 K).     

Thermoelectric Properties of Cu-doped Bi<Subscript>0.4</Subscript>Sb<Subscript>1.6</Subscript>Te<Subscript>3</Subscript> Prepared by Hot Extrusion

Cu_0.003Bi_0.4Sb_1.6Te₃ alloys were prepared by using encapsulated melting and hot extrusion (HE). The hot-extruded specimens had the relative average density of 98%. The (00l) planes were preferentially oriented parallel to the extrusion direction, but the specimens showed low crystallographic anisotropy with low orientation factors. The specimens were hot-extruded at 698 K, and they showed excellent mechanical properties with a Vickers hardness of 76 Hv and a bending strength of 59 MPa. However, as the HE temperature increased, the mechanical properties degraded due to grain growth. The hot-extruded specimens showed positive Seebeck coefficients, indicating that the specimens have p-type conduction. These specimens exhibited negative temperature dependences of electrical conductivity, and thus behaved as degenerate semiconductors. The Seebeck coefficient reached the maximum value at 373 K and then decreased with increasing temperature due to intrinsic conduction. Cu-doped specimens exhibited high power factors due to relatively higher electrical conductivities and Seebeck coefficients than those of undoped specimens. A thermal conductivity of 1.00 Wm^?1 K^?1 was obtained at 373 K for Cu_0.003Bi_0.4Sb_1.6Te₃ hot-extruded at 723 K. A maximum dimensionless figure of merit, ZT _max = 1.05, and an average dimensionless figure of merit, ZT _ave = 0.98, were achieved at 373 K.     

Electrical and thermoelectric properties of <Emphasis Type="Italic">p</Emphasis>-Ag<Subscript>2</Subscript>Te

Temperature dependences of the Hall coefficient R, electrical conductivity σ, and thermopower α₀ are investigated in the range of 4–300 K. The specific features observed in temperature dependences R(T), σ(T), and α₀(T) are interpreted in the context of a model with two types of charge carriers.     

Beneficial Effect of S-Filling on Thermoelectric Properties of S<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Co<Subscript>4</Subscript>Sb<Subscript>11.2</Subscript>Te<Subscript>0.8</Subscript> Skutterudite

In this work, Te-doped and S-filled S _x Co₄Sb_11.2Te_0.8 (x = 0.1, 0.15, 0.2, 0.25, 0.3, 0.4) skutterudite compounds have been prepared using solid state reaction and spark plasma sintering. Thermoelectric measurements of the consolidated samples were examined in a temperature range of 300–850 K, and the influences of S-addition on the thermoelectric properties of S _x Co₄Sb_11.2Te_0.8 skutterudites are systematically investigated. The results indicate that the addition of sulfur and tellurium is effective in reducing lattice thermal conductivity due to the point-defect scattering caused by tellurium substitutions and the cluster vibration brought by S-filling. The solubility of tellurium in skutterudites is enhanced with sulfur addition via charge compensation. The thermal conductivity decreases with increasing sulfur content. The highest figure of merit, ZT = 1.5, was obtained at 850 K for S_0.3Co₄Sb_11.2Te_0.8 sample, because of the low lattice thermal conductivity.