Thermoelectric properties of nano-bulk bismuth telluride prepared with spark plasma sintered nano-plates

The pursuit for a high-performance thermoelectric n-type bismuth telluride-based material is significant because n-type materials are inferior to their corresponding p-type materials in highly efficient thermoelectric modules. Herein, to improve the thermoelectric performance of an n-type Bi₂Te₃, we prepared Bi₂Te₃ nano-plates with a homogeneous sub-micron size distribution and thickness range of about a few tens of nanometers. This was achieved using a typical nano-chemical synthetic method, and the prepared materials were then spark plasma sintered to fabricate n-type nano-bulk Bi₂Te₃ samples. We observed a significant enhancement of the anisotropic electrical transport properties for the nano-bulk sample with a higher power factor along the in-plane direction (24.3?μW?cm^?1?K^?2 at 300?K) than that along the out-of-plane direction (8.1?μW?cm^?1?K^?2 at 300?K). However, thermal transport properties were insensitive along the measured direction for the nano-bulk sample. We used a dimensionless figure of merit ZT to calculate the thermoelectric performance. The results showed that the maximum ZT value of 0.69 was achieved along the in-plane direction at 440?K for the nano-bulk n-type Bi₂Te₃ sample, which was however smaller than that of the previously reported n-type samples (ZT of 1.1). We believe that a further enhancement of the ZT value in the fabricated nano-bulk sample could be accomplished by effectively removing the surface organic ligand of the Bi₂Te₃ nano-plate particles and optimizing the spark plasma sintering conditions, maintaining the nano-plate morphology intact.     

Effect of impurities on the thermoelectric power of amorphous germanium

Large and anomalous changes in the thermoelectric power of amorphous (a?) Ge films have been observed on doping with impurities of Al, Fe and Sb. Depending on the concentration, Al and Sb impurities contribute a negative thermoelectric power below 300°K. and a positive thermoelectric power above 300°K. The effect of Fe is very small below 1 at. %. The thermoelectric power attains high temperature-independent positive values for large (> 1 at. %) concentrations of Al. The observed effects of the impurities cannot be understood in terms of the conventional crystalline semiconductor concepts. A band structure model for a-Ge has been proposed to qualitatively understand the changes in the sign and magnitude of the thermoelectric power with temperature.     

GeI2 monolayer: a model thermoelectric material from 300 to 600 K

ABSTRACT

In this work, the electronic structure, optical properties and thermoelectric properties of the GeI₂ monolayer are calculated by the first principles with the Boltzmann transport equation. The monolayer is calculated as an indirect band gap semiconductor with an indirect band gap of a value 2.19?eV. This GeI₂ monolayer is good for absorbing low-energy photons, and it is insensitive to high-energy photons. The material is stable at temperatures up to 600?K, so we calculated the thermal conductivity (K_L), Seebeck coefficient (S), power factor (PF) and thermoelectric figure of merit (ZT) of the GeI₂ monolayer at various carrier concentrations from 300 to 600?K. Due to the lower group velocity, the GeI₂ monolayer has a lower thermal conductivity of 0.48?W/m?K at 300K. In P-type doping, the power factor can up to 0.11?mW/m?K², and its ZT value is 4.04 at 600?K of the GeI₂ monolayer, indicating that the GeI₂ monolayer is a potential thermoelectric material.     

Magnetic and electrical properties of bismuth cobaltite Bi24(CoBi)O40 with charge ordering

The compound Bi₂₄(CoBi)O₄₀ has been synthesized using the solid-phase reaction method. The temperature and field dependences of the magnetic moment in the temperature range 4 K < T < 300 K and the temperature dependences of the EPR line width and g-factor at temperatures 80 K < T < 300 K have been investigated. The electrical resistivity and thermoelectric power have been measured in the temperature range 100 K < T < 1000 K. The activation energy has been determined and the crossover of the thermoelectric power from the phonon mechanism to the electron mechanism with variations in the temperature has been observed. The thermal expansion coefficient of the samples has been measured in the temperature range 300 K < T < 1000 K and the qualitative agreement with the temperature behavior of the electrical resistivity has been achieved. The electrical and structural properties of the compound have been explained in the framework of the model of the electronic-structure transition with inclusion of the exchange and Coulomb interactions between electrons and the electron-phonon interaction.     

Electronic transport and specific heat of 1T-V Se2

The low-temperature thermoelectric power and the specific heat of 1T-V Se₂ (vanadium diselenide) have been reported along with the electrical resistivity and Hall coefficient of the compound. The charge density wave (CDW) transition is observed near 110 K in all these properties. The thermoelectric power has been measured from 15 K to 300 K, spanning the incommensurate and commensurate CDW regions. We observed a weak anomaly at the CDW transition for the first time in the specific heat of V Se₂. The linear temperature dependence of the resistivity and thermoelectric power at higher temperatures suggests a normal metallic behavior and electron–phonon scattering above the CDW transition. The positive thermoelectric power and negative Hall coefficient along with strongly temperature-dependent behavior in the CDW phase suggest a mixed conduction related to the strongly hybridized s–p–d bands in this compound.     

Transport properties of CeCu6 single crystals

The electrical resistivity ? and the thermoelectric power of CeCu₆ single crystals are strongly anisotropic. The inverse of the temperature of the Kondo resistivity maximum (T_max) roughly scales the linear temperature coefficient B of ? as well as the residual value (?₀ ÷ B ÷ 1/T_max). Along the [1 0 0] direction ? follows a T² Fermi-liquid law between 30 and 90 mK. The thermoelectric power is positive over the investigated temperature range (1–300 K) and shows two contributions.     

Enhanced thermoelectric properties of bismuth intercalated compounds BixTiS2

The thermoelectric properties of Bi intercalated compounds Bi_xTiS₂ have been investigated at the temperatures from 5 to 310 K. The results indicate that Bi intercalation into TiS₂ leads to substantial decrease of its electrical resistivity (one order low for x=0.05 and two orders low for x=0.15, 0.25 at 300 K) and lattice thermal conductivity (22, 115 and 158% low at 300 K for x=0.05, 0.15 and 0.25, respectively). Specially, the figure of merit, ZT, of lightly intercalated compound Bi_0.05TiS₂ has been improved at all temperatures investigated, and specifically reaches 0.03 at 300 K, which is about twice as large as that of TiS₂.     

Thermoelectric properties of multicomponent solid solutions based on bismuth and antimony chalcogenides with n-type conduction in the region of impurity and mixed conduction

The thermoelectric properties of Bi_2?x Sb _x Te_{3 ? y ? z} Se _y S _z solid solutions are studied in the temperature range 300–450 K. It is shown that, as the number of atoms involved in substitutions in both sublattices during the formation of a solid solution increases, the maximum in the temperature dependence of the thermopower coefficient and the minimum in the temperature dependence of the thermal conductivity shift toward higher temperatures as a result of an increase in the band gap. As the charge carrier concentration in the sample of a solid solution increases, the onset of mixed conduction shifts toward higher temperatures, which leads to an additional decrease in the thermal conductivity at a fixed temperature. The observed temperature dependences of the thermoelectric properties of the Bi_{2 ? x} Sb _x Te_{3 ? y ? z} Se _y S _z solid solutions bring about a shift of the maximum in the thermoelectric efficiency toward higher temperatures as the number of atoms involved in the substitution increases.     

Calculation of the thermoelectric characteristics of n-and p-type PbTe using a three-band electron spectrum

In this paper we study the thermoelectric properties of n-and p-type PbTe theoretically in a wide temperature interval of 300 to 900 K. A three-band model of the PbTe electron-energy spectrum was used in these calculations for the first time. The full set of the relevant kinetic characteristics is calculated, including the electrical and thermal conductivities, as well as the Seebeck coefficient and the thermoelectric figure-of-merit. The calculated thermoelectric quantities are in good agreement with the available experimental data.     

Electron scattering in CdxHg1−xTe

Experimental studies of the electron mobility in Cdinx,Hgin1?xTe/0x/0.33, 10¹⁵ cm^?3n10¹⁸ cm^?3, 4.2 K ?T ?300 K/and of the thermoelectric power of intrinsic HgTe from 300 K down to 5 K are reported. These results are interpreted in terms of calculations based on the variational solution of the Boltzmann equation. Analysis shows that in pure samples at low temperatures, the electron mobility is limited by ionized donors, heavy holes, and, in some cases, unresolved defect scattering. In the doped samples with x0&#x0306;.1, disorder scattering also becomes significant. Polar-optical phonon scattering is dominant at high temperatures. The sharp decrease of mobility in the region 20–40 K, which occurs for pure samples with x0&#x030C;.14, is explained by interband optical phonon scattering. The thermoelectric power of intrinsic HgTe is strongly affected by phonon-drag of holes at low temperatures and by electron-electron scattering at high temperatures.     

First principles calculations of Sr-based fluoroperovskite compounds under applied pressure

The structural, electronic and thermoelectric properties of SrXF₃ (X?=?Li, Na, K, Rb) compounds are performed using first principle calculations. The mBJ-GGA method has been considered to obtain accurate band gaps. The present compounds are found to be thermodynamically stable under 0?GPa and 10?GPa. This stability has been determined using the standard enthalypy of formation. The band structures of the compounds display direct band-gap (Γ-Γ). The band gap has slightly increased for almost studied compounds under 10?GPa. The Boltzmann transport calculations are used to calculate and explain the thermoelectric properties as a function of temperature within the range 20–1500?K. The majority charge carriers of SrXF₃ compounds are holes rather than electrons. Under 10 GP pressure the SrLiF₃ compound is shifted from n-type to p-type doping, whereas SrKF₃ and SrRbF₃ are shifted from p-type to n-type. SrNaF₃ has p-type doping character under 0?GPa and 10?GPa. The Seebeck coeffiecient is found to decrease, whereas σ/τ and S² σ/τ increase for higher temperature. According to the figure of merit and the high S² σ/τ values for SrXF₃, promising thermoelectric applications are expected for the present compounds.     

Investigation of the optimal annealing temperature for the enhanced thermoelectric properties of MOCVD-grown ZnO films

In this study, we demonstrate the optimization of the annealing temperature for enhanced thermoelectric properties of ZnO. Thin films of ZnO are grown on a sapphire substrate using the metal organic chemical Vapor Deposition (MOCVD) technique. The grown films are annealed in an oxygen environment at 600–1000°C, with a step of 100°C for one hour. Seebeck measurements at room temperature revealed that the Seebeck coefficient of the sample that was not annealed was 152 μV/K, having a carrier concentration of N _D ~ 1.46 × 10¹⁸ cm^–3. The Seebeck coefficient of the annealed films increased from 212 to 415 μV/K up to 900°C and then decreased at 1000°C. The power factor is calculated and found to have an increasing trend with the annealing temperature. This observation is explained by the theory of Johnson and Lark–Horovitz that thermoelectric properties are enhanced by improving the structure of ZnO thin films. The Hall measurements and PL data strongly justify the proposed argument.     

Crystallographic,optical and magnetic properties of Eu2SiO4

The crystallographic properties of Eu₂SiO₄ are studied in terms of its isomorph Ca₂SiO₄. The recently discovered monoclinic room-temperature phase is ferroelastic and simultaneously ferromagnetic at low temperatures (T _e=5.40°K). The optical absorption and the dispersion properties have been measured in spectral intervals ranging from 0.5 to 3.6 eV and partly for temperatures between 300 and 500°K. This temperature range includes the ferroelastic-paraelastic phase-transition temperature (T _e=438°K). An anomaly of the dielectric constant atT _e suggests the presence of an unstable phase which would be ferroelectric. The Faraday rotation has been measured on either side of the absorption edge at 300 and 77°K. The recent results on crystal structure allow an explanation of the magnetic behaviour of the two ferromagnetic phases known up to now.     

High‐temperature thermoelectric properties of p‐type skutterudites Ybx Co3FeSb12

Partially filled polycrystalline p‐type skutterudites of nominal compositions Yb_x Co₃FeSb₁₂ were synthesized and their thermoelectric properties characterized. The compositions and filling fractions were confirmed with a combination of Rietveld refinement and elemental analysis. The thermoelectric properties were evaluated from 300 K to 810 K. The Seebeck coefficient and resistivity increase while the thermal conductivity decreases with increasing Yb content. A maximum ZT value of 0.85 was obtained at 810 K. This work is part of a continuing effort to enhance the thermoelectric properties of p‐type skutterudites, as this class of materials continues to be of interest for thermoelectrics applications. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

A photoelectrochemical study of the hexagonal ferrite PbFe12O19

Several techniques have been used in order to characterize the photoelectronic properties of a magnetoplumbite single crystal of composition Pb_1.19Fe_11.88O_18.91. Measurements of electrical resistivity and thermoelectric power have shown between 77 and 300 K the compound to have n-type semiconducting properties. The I–V characteristics (in the dark and under illumination), the spectral response and the flat band potential have also been determined.The density of donors derived from Mott-Schottky plots (3.2 × 10¹⁹) is in good agreement with the value of the Fe²⁺ concentration (2.9 × 10¹⁹) obtained by chemical analysis. Electron affinity was found to be equal to 4.5 ± 0.2 eV. The photocurrent corresponding to the photoelectrolysis of water is due to indirect electronic transitions at 1.75, 2.1 and 2.4 eV. Evidence is given suggesting that these transitions correspond to lead-iron and/or iron-iron charge transfers.     

Thermoelectric properties of a dilute graphite donor intercalation compound

Data on the in-plane thermal conductivity and thermoelectric power of a stage-5 potassium donor graphite intercalation compound are reported in the temperature range 3 < T < 300 K. In the lowest temperature range the electronic contribution dominates the thermal conductivity, while at higher temperature there is a dominant lattice contribution, which is much smaller than pristine graphite. The thermopower is negative in the whole temperature range.     

Electronic conductivity and thermopower of Ca2NaMg2V3O12−x garnet

Results are reported from conductivity and thermoelectric power measurements on partially reduced Ca₂NaMg₂V₃O_12?x, with x < 5.10^?2, at temperatures of 300–1100 K. The conductivity is thermally activated with activation energies 0.26 ? E_a ? 1.28 eV for differently reduced samples. The thermopower is temperature independent in the 300–800 K region. These results are shown to be consistent with the adiabatic hopping of small polarons localised on the vanadium sublattice, where defect interactions result in the formation of multiple conduction pathways.     

An analysis of the thermoelectric efficiency of n-(Bi,Sb)2(Te,Se,S)3 solid solutions within an isotropic scattering model

A study is reported on the thermoelectric properties of n-type solid solutions Bi₂Te_3?y Se_y (y=0.12, 0.3, 0.36), Bi_2?x Sb_xTe_3?y Se_y (x=0.08, 0.12; y=0.24, 0.36), and Bi₂Te_3?z S_z (z=0.12, 0.21) as functions of carrier concentration within the 80-to 300-K range. It has been established that the highest thermoelectric efficiency Z is observed in the Bi₂Te_3?y Se_y (y=0.3) solid solution containing excess Te at optimum carrier concentrations (0.35×10¹⁹ cm^?3) and at temperatures from 80 to 250 K. The increase in Z in the Bi₂Te_3?y Se_y solid solution compared with Bi_2?x Sb_xTe_3?y Se_y and Bi₂Te_3?z S_z is accounted for by the high mobility μ₀, an increase in the effective mass m/m ₀ with decreasing temperature, the low lattice heat conductivity κ_L, and the weak anisotropy of the constant-energy surface in a model assuming isotropic carrier scattering.     

Fermi surface and thermoelectric power of (Bi1−x Sbx)2Te3<Ag, Sn> mixed crystals

The Fermi surface anisotropy of (Bi_1?x Sb_x)₂Te₃ single crystals (0.25 ≤ x ≤ 1) was studied by analyzing the angular dependence of the frequency of Shubnikov-de Haas oscillations and the effect of tin and silver doping on the thermoelectric power in these crystals in the temperature range 77 ≤ T ≤ 300 K. It was shown that silver doping of (Bi_1?x Sb_x)₂Te₃ mixed crystals produces acceptors, while silver in Bi₂Te₃ acts as a donor. Tin also exhibits acceptor properties. Both tin and silver doping of p-(Bi_1?x Sb_x)₂Te₃ mixed crystals decrease the thermoelectric power due to an increase in the hole concentration.     

Dynamical stability,electronic and thermoelectric properties of quaternary ZnFeTiSi Heusler compound

We investigated the dynamical stability, electronic and thermoelectric properties of the ZnFeTiSi Heusler compound by combining the first-principles calculations and semi-classical Boltzmann transport theory. The phonon dispersion indicates the dynamical stability and the calculated formation energy is negative which confirm the stability of ZnFeTiSi in the Heusler structure. The calculated electronic structures show that ZnFeTiSi is a semiconductor with an indirect band gap of about 0.573 eV using GGA and 0.643 eV by mBJ-GGA potentials at equilibrium lattice parameter (5.90 Å). Seebeck coefficient, electrical conductivity and electronic thermal conductivity were calculated to describe the thermoelectric properties of the ZnFeTiSi compound. It is found that it exhibits high Seebeck coefficient and power factor, making it promising for future thermoelectric applications.