Temperature dependence of thermoelectric properties of Ni-doped CoSb3

Temperature dependences of the Hall coefficient, Hall mobility and thermoelectric properties of Ni-doped CoSb₃ have been characterized over the temperature range from 20 to 773 K. Ni-doped CoSb₃ is an n-type semiconductor and the conduction type changes from n-type to p-type at around 450 K. The temperature for the transition from n-type to p-type increased with increasing Ni content x. The Seebeck coefficient reaches a maximum value near the transition temperature. The electrical resistivity indicates that Co_1−xNi_xSb₃ is a typical semiconductor when x≤0.03 and a degenerate semiconductor when x>0.03. Thermal conductivity analyses show that the lattice component is predominant at lower temperatures and carrier and bipolar components become large at temperatures higher than the transition temperature. The thermoelectric figure of merit reaches a maximum value close to the transition temperature and the largest value, 4.67×10⁻⁴ K⁻¹ at 600 K, was obtained for x=0.05.     

YB48 the metal rich boundary of YB66; crystal growth and thermoelectric properties

It was discovered that the well-known higher boride YB₆₆, one of the first reported phonon glass electron crystals (PGEC), could be obtained in a much more metal-rich composition than previously thought possible. Using the floating zone growth method, YB₄₈ single crystals with YB₆₆ crystal structure could be obtained, and their thermoelectric properties measured. This expansion of the homogeneity range of the well-known YB₆₆ compound is surprising and a new Y atomic site was discovered. YB₄₈ exhibits much higher power factors than YB₆₆ which increase rapidly with increasing temperature. The obtained dimensionless figure of merit of this compound at 990 K is approximately 30 times higher than that of previously reported YB₆₆ samples, and higher than any other pristine higher boride. This discovery reveals YB₄₈ as a promising high temperature thermoelectric material.     

Low temperature thermoelectric properties of Pb- or Sn-doped Bi-Sb alloys

Pb- or Sn-doped Bi₈₈Sb₁₂ alloys were prepared by direct melting, quenching, and annealing. The Bi-Sb alloy phase was predominant in all samples. Pb or Sn atoms were distributed almost uniformly in Bi₈₈Sb_12, while some segregation was confirmed at the grain boundaries when Pb or Sn was involved heavily. The thermoelectric properties of these doped materials were investigated by measuring the Hall coefficient, electrical resistivity, and Seebeck coefficient between 20 K and 300 K. The Hall and Seebeck coefficients of Pb- or Sn-doped samples were positive at low temperatures, indicating that the doping element acted as an acceptor. Temperatures resulting in positive Hall and Seebeck coefficients further increased with increasing doping amount and with respect to the annealing process. As a result, a large power factor of 1.2 W/mK² could be obtained in the 3-at% Sn-doped sample at 220 K, with a large positive Seebeck coefficient.     

Structure and low-temperature properties of Ba8Ni6Ge40

Structural, magnetic, heat capacity, electrical and thermal transport properties are reported on polycrystalline Ba₈Ni₆Ge₄₀. Ba₈Ni₆Ge₄₀ crystallizes in a cubic type I clathrate structure with unit cell a=10.5179 (4) Å. It is diamagnetic with susceptibility χ_dia=−1.71×10^-6 emu/g Oe. An Einstein temperature 75 K and a Debye temperature 307 K are estimated from heat capacity data. It exhibits n-type conducting behavior below 300 K. It shows high Seebeck coefficients (−111×10^-6 V/K), low thermal conductivity (2.25 W/K m), and low electrical resistivity (8.8 mΩ cm) at 300 K.     

Effect of varying mixture ratio of raw material powders on the thermoelectric properties of AlMgB14-based materials prepared by spark plasma sintering

Thermoelectric properties of AlMgB₁₄-based materials prepared by spark plasma sintering were investigated. Al, Mg, and B powders were used as raw material powders. The raw powders were mixed using a V-shaped mixer, and then the mixture was sintered at 1673 K or 1773 K. The mixture ratio of raw powders was varied around stoichiometric ratio of AlMgB₁₄. X-ray diffraction patterns of samples showed that all samples consist of AlMgB₁₄ and MgAl₂O₄. The Seebeck coefficient of the samples exhibited significant change depending on the varying mixture ratio and sintering temperature. One sample exhibited a large negative value for the Seebeck coefficient (approximately −500 μV/K) in the temperature range from 573 K to 1073 K, while others showed positive value (250–450 μV/K). Thus n-type AlMgB₁₄-based material has been realized by varying raw material ratio and sintering temperature.     

Magnetic and related properties of the solid solution CeCuxGa4−x

Physical properties of polycrystalline samples of CeCu_xGa_4−x (x = 0.2–1.4), crystallizing in the tetragonal BaAl₄-type structure (space group I 4/mmm), were studied by means of X-ray powder diffraction, magnetization, specific heat, electrical resistivity and magnetoresistivity measurements in wide temperature and magnetic fields ranges. The unit-cell volume of the system was found to decrease with increasing x (in total by about 4%) but the magnetic moments of Ce³⁺ ions remain localized in the whole x-range studied. The alloys exhibit ferromagnetic order at low temperatures, which manifests itself as distinct and relatively sharp anomalies in all the temperature characteristics measured. The ordering temperature decreases with increasing the Cu content from 5.5(1) K for x = 0.2 down to 1.35(5) K for x = 1.4, and the electrical transport properties of the system show some features characteristic of Kondo lattices.     

The effects of elements doping on transport and thermoelectric properties of Sr3Ti2O7

The Ruddlesden–Popper (RP) phase compounds (Sr_0.95R_0.05)₃Ti₂O₇ (R=Er, Y, Dy, Gd, Eu, Sm, Nd and La) were prepared, and their transport and thermoelectric properties were investigated. The results indicate that high-T electrical resistivity ρ (300 K<T<1000 K) increases monotonically with temperature and basically has a relation ρ∝T^M, with M varying from 0.91 to 1.92 at temperatures T>~650 K, suggesting acoustic phonon scattering is dominant. At low temperatures (5 K<T<300 K), ρ for (Sr_0.95R_0.05)₃Ti₂O₇ (R=Nd and La) decreases monotonously with decreasing temperature, whereas ρ for (Sr_0.95R_0.05)₃Ti₂O₇ (R=Er, Y, Dy, Gd, Eu and Sm) decreases first, and then increases instead as T decreases to a critical temperature T_c. Moreover, electrical conductivity σ∝T^1/2 holds at lower temperatures, indicating that the electron–electron interaction caused by the presence of disorder dominates the transport process at the low temperatures. Besides, experiments show that at T<~400 K the lattice thermal conductivity of the doped compounds basically decreases with increase of the atomic mass of dopants. Generally, the figure of merit (ZT) at 1000 K increases first, and then decreases with the increase of the dopants' ionic radius, and the largest ZT is achieved in (Sr_0.95Gd_0.05)₃Ti₂O₇ mainly owing to its lower lattice thermal conductivity.     

Thermoelectric properties of Ge-doped Bi85Sb15 alloys at low temperatures

Bulk polycrystalline Bi₈₅Sb_15−xGe_x (x=0, 0.5, 1, 1.5, 2) composites were prepared by mechanical alloying followed by pressureless sintering. The thermoelectric properties were studied in the temperature range of 77–300 K. The results indicate that increasing the Ge concentration causes the Seebeck coefficient to change sign from negative to positive. Moreover, it is found that the maximum value of the Seebeck coefficient can be precisely controlled with the Ge concentration. The maximum dimensionless figure of merit reaches 0.07 at 140 K. These results suggest that the preparation of p-type Bi–Sb alloys is possible by using the Ge-doping approach.     

Magnetic and related properties of U4Rh13Si9 and U4Ir13Si9

The compounds U₄Rh₁₃Si₉ and U₄Ir₁₃Si₉ crystallize with the orthorhombic Er₄Ir₁₃Si₉-type structure that contains three non-equivalent positions of uranium atoms. Their magnetic, electrical transport and thermal properties were studied down to liquid helium temperature in magnetic fields up to 9 T. Both compounds have been found to order antiferromagnetically at low temperatures and to exhibit complex magnetic behavior in the ordered state. Some features characteristic of spin fluctuators (U₄Rh₁₃Si₉) and Kondo lattices (U₄Ir₁₃Si₉) indicate that the two ternaries studied are novel strongly correlated electron systems.     

Physical properties of carbon composite materials with low percolation threshold

Electrical and thermal properties of binary systems consisted of stearine and expanded graphite (EG) of different bulk densities (0.003 and 0.4 g/cm³), stearine and fine-crystalline graphite (CG) were examined. Heat capacity measurements display that phonon spectrum of graphite does not change after chemical and heat treatment in the temperature range from 300 to 700 K. It was shown that the value of samples’ percolation threshold depends on aspect ratio of using the electroconducting filler: EG as electroconducting filler is 20 times more effective than common crystal graphite.     

Thermodynamic and kinetic properties of Ho1−xTixCo2-hydrogen system

The hydrogen absorption behavior of Laves phase Ho_1−xTi_xCo₂ (x=0.1-0.6) alloys has been investigated by pressure-concentration (PC) isotherms and cyclic-, temperature- and pressure-dependent absorption kinetics. The PC isotherms and kinetics of hydrogen absorption have been studied in the pressure range 0.01-1 bar and temperature range 50-200 °C using Sievert's-type apparatus. The drastic changes in the induction period and particle size during the activation process have been discussed based on the kinetics of repeated hydrogenation cycles and scanning electron microscopy (SEM) images of the hydrides at different hydriding cycles, respectively. The experimental results of kinetic curves are interpreted using the Johnson-Mehl-Avrami (JMA) model, and the reaction order and reaction rate have been determined. The α-, (α+β)- and β-phase regions in Ho_1−xTi_xCo₂-H have been identified from the different slope regions of the first-order-type kinetic plots. The dependence of the reaction rate parameter on hydriding pressure and temperature in the (α+β)-phase region has been discussed.     

Relating tracer and chemical diffusion coefficients in intermetallic compounds taking the DO3 and A15 structures

In this article we employ computer simulation to explore the validity of the Darken/Manning relation between the chemical diffusion coefficient and the tracer diffusion coefficients of the components in stoichiometric intermetallic compounds A₃B taking the DO₃ and A15 structures at vanishingly small vacancy contents. The analysis centres on the validity of Manning’s random alloy expression for the vacancy wind factor. The models for both the DO₃ and A15 structures use eight atom-vacancy exchange frequencies. For the DO₃ structure it is found that the actual vacancy wind factor is usually somewhat larger than that predicted by Manning but overall the agreement is good. At worst the use of Manning’s expression would underestimate this factor by about 30 or 40%. For the A15 structure a similar result is found except when diffusion along the chains in the structure is rapid. Then Manning’s expression fails badly when a constant geometrical tracer correlation factor is employed. In both the structures if the geometrical correlation factor is varied to reflect the structure actually explored by the atoms (mainly the majority atoms A) the agreement is improved very dramatically.     

Microstructure and thermoelectric properties of Zn1−xAlxO ceramics fabricated by spark plasma sintering

Al-doped ZnO powders were synthesized via solid reaction between Zn(OH)₂ and Al(OH)₃ and consolidated by spark plasma sintering (SPS) to fabricate fine-grained Zn_1−xAl_xO ceramics as a thermoelectric material. X-ray diffraction and spectrophotometer experiments revealed that Al doping into ZnO is enhanced by the present process, and consequently the SPS-processed Zn_1−xAl_xO samples show significantly improved electrical conductivity as compared with those prepared via mixing ZnO and Al₂O₃ oxide powders. Because of the combined effect of Al doping and grain refinement, the present Zn_1−xAl_xO ceramics show much lower thermal conductivity, which also results in an enhanced dimensionless figure of merit (ZT), than un-doped ZnO oxides prepared also by SPS.     

Thermoelectric properties of Bi0.9Sb0.1 prepared by high pressure

The Bi_0.9Sb_0.1 powders were prepared by mechanical alloying and then pressed under 6 GPa at different pressing temperatures. X-ray diffraction spectra showed that the single phase was formed. The nanostructure of grain was observed by bright-field imaging. Electrical conductivity, Seebeck coefficient, and thermal conductivity had been investigated in the temperature range of 80-300 K. The absolute Seebeck coefficient value of 120.3 μV/K was measured at 130 K. The figure-of-merit reached a maximum value of 0.90×10⁻³ K⁻¹ at 140 K.     

The effects of annealing on Au/pyronine-B/MD n-InP Schottky structure

Thin film of non-polymeric organic compound pyronine-B has been fabricated on moderately doped (MD) n-InP substrate as an interfacial layer using spin coating technique for the electronic modification of Au/MD n-InP Schottky contact. The electrical characteristics have been determined at room temperature. The barrier height and the ideality factor values for Au/pyronine-B/MD n-InP Schottky diode have been obtained from the forward bias I-V characteristics at room temperature as 0.60 eV and 1.041; 0.571 and 1.253 eV after annealing at 100 and 250 °C, respectively. An increase in annealing temperature at the Au/n-InP Schottky junction is shown to increase the reverse bias leakage current by about one order of magnitude and decrease the Schottky barrier height by 0.027 eV. Furthermore, the barrier height values for the Au/pyronine-B/MD n-InP Schottky diode have also been obtained from the C-V characteristics at room temperature as 1.001 and 0.709 eV after annealing at 100 and 250 °C, respectively. Finally, it was seen that the diode parameters changed with increase in the annealing temperature.     

Magnetic and electronic properties of the antiferromagnetic YbFe4Al8 compound

The magnetic, electrical and electronic properties of the tetragonal ternary YbFe₄Al₈ compound have been investigated. This compound was supposed to be an antiferromagnetic superconductor due to the negative magnetization signal appearing at a low field of the field cooling mode, however, based on the measurements of the temperature dependence of magnetization and resistivity we do not confirm the presence of superconductivity in this material and we ascribe the negative magnetization to the complicated non-collinear magnetic structure. A switch to the antiferromagnetic order at about 150 K has been visible both on the M(T) and ρ(T) curves. The valence state of the Yb ions has been studied by X-ray photoemission spectroscopy. The valence band spectrum at the Fermi level exhibits the domination of the hybridized Yb(4f) and Fe(3d) states.     

Low-temperature thermoelectric properties of Bi85Sb15−xNbx alloys prepared by high-press sintering

The nanocrystalline materials with the general formula Bi₈₅Sb_15−xNb_x (x=0, 0.5, 1, 2, 3) were prepared by mechanical alloying and subsequent high-pressure sintering. Their transport properties involving electrical conductivity, Seebeck coefficient and thermal conductivity have been investigated in the temperature range of 80-300 K. The absolute value of Seebeck coefficient of Bi₈₅Sb₁₃Nb₂ reaches a maximum of 161 μV/K at 105 K, which is 69% larger than that of Bi₈₅Sb₁₅ at the same temperature. The power factor and figure-of-merit are 4.45×10⁻³ WK⁻²m⁻¹ at 220 K and 1.79×10⁻³ K⁻¹ at 196 K, respectively. These results suggest that thermoelectric properties of Bi₈₅Sb₁₅ based material can be improved by Nb doping.     

Charge conduction process and photoelectrical properties of bulk heterojunction device based on sulphonated nickel phthalocyanine and rose Bengal

The dependence of photovoltaic performance of the bulk heterojunction photovoltaic device based on the blend of sulphonated nickel phthalocyanine (NiPcS) and rose Bengal (RB) on their composition, thermal annealing and oxygen exposure has been investigated. It is found that both electron and hole mobility in RB phase and NiPcS phase, respectively has been increased on thermal annealing. The power conversion efficiency of the device increases upon thermal annealing, attributed the balance charge transport. The power conversion efficiency of the device experiences a drastic increase upon oxygen exposure, which attributed to the photo-induced doping, increase in exciton diffusion length in NiPcS phase and increased volume of exciton dissociation interfacial sites. From the impedance spectroscopy, we conclude that the change in bulk resistance and dielectric constant of the active material due to the illumination has a direct relevance to the photocurrent generated by the device.     

Heat conduction in extended X-junctions of single-walled carbon nanotubes

Non-equilibrium molecular dynamics (NEMD) simulations are employed to investigate the longitudinal thermal conductivity of non-orthogonal extended X-junction (EX-junction) of single-walled carbon nanotubes (SWCNTs). Different from standard junctions of SWCNTs, two distinct jumps in the temperature profile around the EX-junction are observed, which are responsible for the larger temperature gradient and reduction in thermal conductivity when compared to standard X-junction. Quantum corrected results show that the longitudinal thermal resistance of the X-junction and EX-junction decreases monotonically with increasing temperature which makes the longitudinal thermal conductivity of the tube with junction less sensitive to temperature above 400 K comparing with the individual pristine tube. The origin of the significant decrease of thermal conductivity of EX-junction is discussed through phonon spectra analysis.     

Local structure of the high-temperature thermoelectric material PbTe using the maximum entropy method (MEM) and pair distribution function (PDF)

The electron density distribution and the local structure of the high temperature thermoelectric material PbTe has been studied. Powder X-ray data set of PbTe is analyzed in terms of cell parameter, thermal vibration parameters, 1D, 2D and 3-dimensional electron density distributions. The bonding between the atoms using the maximum entropy method (MEM) and bond-length distribution using pair distribution function (PDF) have been analyzed. Both the pictorial and the numerical results of electron density and PDF studies show mixed ionic and covalent characters in PbTe.