Electrical Transport Properties Research Articles

Crystal structure, magnetic and electrical transport properties of titanium-doped half-Heusler alloys Ni1−xTixMnSb

Ni[Formula: see text]TixMnSb polycrystalline alloys in the range [Formula: see text] were synthesized employing the standard solid-phase synthesis method. The crystal, magnetic, as well as electrical properties of the alloys were investigated using neutron powder diffraction and magneto-resistance measurements. The results reveal that the substitution of Ti for Ni within the temperature range of 2.5–300 K does not induce alterations in the crystal and magnetic structures of NiMnSb. The ordered Ni magnetic moment approaches zero. The study of the electrical transport properties of the Ni[Formula: see text]TixMnSb alloys, where [Formula: see text], has demonstrated a half-metallic state at low temperatures and metallic conductivity for temperatures exceeding 160 K. A semiconductor state manifests at titanium concentrations of x = 0.2 and was observed at temperatures below 21 K. The obtained experimental results are elucidated through first-principles theoretical calculations.

Advancing Thermoelectric Performance of Bi2Te3 below 400 K.

Thermoelectric cooling devices utilizing Bi2Te3-based alloys have seen increased utilization in recent years. However, their thermoelectric performance remains inadequate within the operational temperature range (≤400 K), with limited research addressing this issue. In this study, we successfully modulated the carrier concentration of the sample through Te content reduction, consequently lowering the peak temperature of the zT value from 400 to 300 K. This led to a substantial enhancement in thermoelectric performance at room temperature (≤400 K). Furthermore, by doping with La, the electrical transport properties have been further optimized, and the lattice thermal conductivity has been effectively reduced at the same time; the average zT value was ultimately elevated from 0.69 to 0.9 within the temperature range of 300-400 K. These findings hold significant promise for enhancing the efficacy of existing thermoelectric cooling devices based on Bi2Te3-based alloys.

Effect of biaxial tensile strain on the thermoelectric properties of monolayer ZrTiCO2

Using ab-initio calculation principle calculations, we investigate the effect of biaxial tensile strain on the stability and electronic properties of the two-dimensional double transition metal MXenes ZrTiCO2. The monolayer ZrTiCO2 has stability and semiconducting properties under different strain conditions. The results of thermoelectric properties under other strain conditions calculated by Boltzmann transport theory and Slack model show that biaxial tensile strain can improve the electrical transport properties of monolayer ZrTiCO2 materials and lead to the decrease of lattice thermal conductivity. The thermoelectric efficiency of a material can be evaluated using the figure of merit ZT. The n-type ZrTiCO2 has a maximum ZT value of 1.49 at 900 K without adding biaxial strain and reaches a ZT value of 2.86 with 2% biaxial strain. The monolayer ZrTiCO2 material has the potential to become a thermoelectric material, and its thermoelectric properties can be improved by biaxial tensile strain.

All-Inorganic Halide Perovskites Boost High-Ranged Figure-of-Merit in Bi0.4Sb1.6Te3 for Thermoelectric Cooling and Low-Grade Heat Recovery.

The all-inorganic halide perovskite CsPbX3 (X = Cl, Br, or I) offers various advantages, such as tunable electronic structure and high carrier mobility. However, its potential application in thermoelectric materials remains underexplored. In this study, we propose a simple yet effective method to synthesize a CsPbX3/Bi0.4Sb1.6Te3 (BST) nanocomposite by sintering a uniformly mixed raw powder. The intrinsic excitation of the BST system is suppressed by exploiting the rich phase structure and tunable electrical transport properties of CsPbX3, and the thermoelectric properties were synergistically optimized. Notably, for CsPbI3, its phase-transition-induced dislocation arrays together with low group velocities drastically reduce thermal conductivity. As a result, the composite achieves an ultrahigh average figure-of-merit (ZT) of 1.4 from 298 to 523 K. The two-pair TE module demonstrates a superior conversion efficiency of 7.3%. This study expands the potential applications of inorganic halide perovskites, into thermoelectrics.

Investigating the Electrical Transport and Photoresponse Properties of WSe2 and a Thermally Engineered SrTiO3-Based Heterojunction

Investigating the Electrical Transport and Photoresponse Properties of WSe₂ and a Thermally Engineered SrTiO₃-Based Heterojunction

Optimization of electrical transport and magnetoresistance of La0.72Ca0.28-xPbxMnO3 ceramics by Pb2+ doping

Here, La0.72Ca0.28-xPbxMnO3 (LCPMO, 0 ≤ x ≤ 0.06) polycrystalline ceramics are prepared by the sol-gel method and the influence of Pb2+ doping on microstructure, chemical composition, and electrical transport properties of LCPMO ceramics is systematically investigated. The study was characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Energy-Dispersive Spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS) and four-probe method. The four-probe test shows that all samples have MIT (metal-insulator transition) behavior, and the peak resistance gradually decreases with the increase of Pb2+ doping amount. With the increase of Pb2+ doping amount, the temperature coefficient of resistance (TCR) and magnetoresistance (MR) first increased and then decreased, the TCR increased from 24.6 % to 36.5 %·K−1, and the MR value increased from 47 % to 71.5 %, and both corresponded to high temperature direction. Referring to previous studies, higher TCR and MR values near room temperature are what researchers have been pursuing for a long time. it can be seen that the LCPMO ceramics prepared in this article can have good application prospects in infrared detection and magnetic storage.

High-throughput discovery of metal oxides with high thermoelectric performance via interpretable feature engineering on small data

In this work, we have proposed a data-driven screening framework combining the interpretable machine learning with high-throughput calculations to identify a series of metal oxides that exhibit both high-temperature tolerance and high power factors. Aiming at the problem of weak generalization ability of small data with power factors at high temperatures, we employ symbolic regression for feature creation which enhances the robustness of the model while preserving the physical meaning of features. 33 candidate metal oxides are finally targeted for high-temperature thermoelectric applications from a pool of 48,694 compounds in the Materials Project database. The Boltzmann transport theory is utilized to perform electrical transport properties calculations at 1,000 K. The relaxation time is approximated by employing constant electron-phonon coupling based on the deformation potential theory. Considering band degeneracy, the electron group velocity is obtained using the momentum matrix element method, yielding 28 materials with power factors greater than 50 μWcm−1K−2. The high-throughput framework we proposed is instrumental in the selection of metal oxides for high-temperature thermoelectric applications. Furthermore, our data-driven analysis and transport calculation suggest that metal oxides rich in elements such as cerium (Ce), tin (Sn), and lead (Pb) tend to exhibit high power factors at high temperatures.

The Structural Examination of Fe/(Cu/Nb)/MgB2 Multifilament Wires During Cold Forming Process

In this study, we have successfully produced a Fe-sheathed 6+1 multifilament wire using Cu/Nb/MgB2 monocore wires. The mono filament wire was prepared using Mg+2B powder mixture by powder-in-tube method without any intermediate heat treatment. The powder mixture of the amorphous nano boron (PVZ Nano Boron, purity of 98.5%, particle sizes < 250 nm) and high purity Mg powder (PVZ Mg, purity of 99%, particle size 74µm) were used. The multifilament wire was produced using groove rolling and cold drawing machines. The geometrical form of the filaments was examined using wire pieces taken from the wire at different steps throughout the production process. Finally, the multifilament wires produced in two different diameters of 1.02 mm and 0.82 mm were investigated in terms of filament uniformity, crack formation, surface roughness, and electrical transport properties. The structural examination was done on Nb filaments after the Fe and Cu sheaths were etched using HCl and HNO3 solution. The I – V measurements of the multifilament wires heat treated at 650 °C for 15, 30, 45, 60, and 240 minutes, and 700 °C for 60 minutes were carried out for the applied current up to 1 A at 25 K under various external magnetic field.

Layer-dependence study of two-dimensional ferromagnets: Fe3GeTe2 and Fe5Ge2Te2

We have investigated the electrical transport properties of nanodevices fabricated from exfoliated flakes of two-dimensional metallic ferromagnets Fe3GeTe2 (FGT) and Fe5Ge2Te2 (FG2T) down to below three layers in thickness. The per-layer anomalous Hall conductivity even in thick FGT and FG2T devices is found to be much smaller than ∼e2h, the approximate value calculated for thick undoped crystals. Moreover, we obtain a power-law scaling relation between the per-layer anomalous Hall and per-layer longitudinal conductivities with an exponent close to 1.6, which agrees with the universal value for poor ferromagnetic conductors. Both FGT and FG2T devices show clear layer-dependent Curie temperatures and layer-dependent perpendicular magnetic anisotropy, with FG2T dominating the former and FGT dominating the latter for all thicknesses. Despite their declining trend as the device thickness decreases, both Curie temperature and magnetic anisotropy retain a significant fraction of their bulk values (>60% and >80% of the bulk values, respectively, even in the thinnest FG2T device), indicating attractive potential for practical applications.

Strong correlation of electrical transport and magnetic properties to ionic states, structure, and morphology of Al-substituted Ni–Co ferrite systems: A comprehensive study

This paper presents the structure, morphology, magnetic, ionic states, and electrical transport characteristics of spinel Ni0.5Co0.5AlxFe2-xO4 (x = 0.0, 0.5, and 1.0) nanocrystalline ferrites, synthesized by using the sol-gel auto-combustion method. Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) were used to analyze the structural characteristics. The synthesized ferrites were found to have a crystallite size of less than 40 nm when the Rietveld method was applied to refine XRD patterns in single-phase cubic spinel-related structures that belong to the Fd-3m space group. Furthermore, since the ionic states are visible in X-ray photoelectron spectroscopy (XPS), variations in Al3+ ion concentration have been found to affect the locations, occupancy, and Wyckoff's cationic position of the ions as well as the lattice constant (a), the crystallite size (D), and the micro-strain of the composites. Thermogravimetric analysis was used to examine the temperature-dependent spinel phase formation and % weight loss of the sample. The x = 1.0 composition is said to be the best dielectric material out of the three samples since it has the highest polarization permittivity, the lowest dissipation factors, and exceptional temperature stability. These nanoparticles have relatively high impermanent magnetization values and are ferrimagnetic, according to the vibrating sample magnetometer (VSM) investigation. Additionally, it was found that the presence of Al3+ decreases the magnetization values of the spinel Ni0.5Co0.5AlxFe2-xO4 (x = 0.0, 0.5, and 1.0) system because the Al3+ exclusively occupies the Fe-sites, which reduces the super-exchange interaction between the Fe2+/Fe3+, Co2+/Co3+, and the Ni2+/Ni3+ ions. The unique magnetic characteristic of these compositions below 40 nm is predicted to make them appealing for storage applications.

Improved electrical transport properties of La0.7Ca0.3−xKxMnO3 (0.0 ≤ x ≤ 0.3) films grown on La0.3Sr0.7Al0.65Ta0.35O3 (00l) substrates by sol–gel spin coating method

Herein, La0.7Ca0.3−xKxMnO3 (LCKMO) films with highly oriented growth were prepared on La0.3Sr0.7Al0.65Ta0.35O3 (00l) substrates by sol–gel spin coating method. Comprehensive analysis of microstructure, surface morphology, ion valence, and electrical transport properties of LCKMO films indicates that the substitution of K+ ions for Ca2+ ions increased the ratio of Mn4+/(Mn3+ + Mn4+), narrowed the one electron bandwidth, and enhanced double exchange mechanism and electron–lattice coupling. Moreover, the doping of K+ ions induced the dense and uniform conical-structured growth of grains on the surface of the films. Results demonstrated that at x = 0.1, LCKMO film exhibited the maximum TCR of 17.84% K−1 at 253.07 K, which was 31.76% higher than that of previously reported La1−x−yCaxKyMnO3 ceramic with the highest TCR. Further theoretical insights into the effects of Ca/K co-doping on electrical transport properties were supplemented.

Calculating the Density Energy of Se100-XGeX and Se62Ge35X3 Semiconductor Materials

In this paper, chalcogenide glasses are studied using a range of experimental techniques for the purpose of understanding their electrical properties with the aim of providing new strategies for producing a new class of electronic devices made of advanced amorphous materials. The electrical properties of chalcogenide glass are very low cost to produce competitive devices; hence, a deeper understanding of their electrical transport properties may provide the necessary insight to enhance merit. For this purpose, the electrical properties studied by some researchers were relied upon, mathematical equations were performed and the program is designed to compute the energy state density in both extended and localized systems region of Se100-xGex with (x = 5, 25, 28, 30 and 38) and Se62Ge35X3 glasses (where X is Sb, Sn, or Bi) in different concentrations. Characterizing the electrical properties of Se100-xGex and Se62Ge35X3 glasses use to determine the density of energy states. The results of electrical measurements confirmed the presence of two mechanisms of electrical conduction: conduction in extended states at high temperatures and conduction in localized states at medium temperatures. Effective substitution results in a change in the local and extended state coefficients. This effect was measured as a function of concentration.

First-principles calculation of P-type Mg3Sb2 thermoelectric performance modification by Ge and Si doping

Mg3Sb2 has been considered a highly promising thermoelectric material for mid-temperature applications. Optimizing the properties of the material is crucial for accelerating its commercial use. In this work, first-principles molecular simulations of P-type Mg3Sb2 doped with the carbon group elements Ge and Si have been carried out. Results indicate that doping with Ge and Si enhances the thermodynamic stability and electrical conductivity of the material. This improvement is achieved by decreasing the bandgap, increasing the local and peak density of states, flattening the band structure, and elevating the relative mass of carriers. Additionally, doping with Ge and Si decreases the phonon velocity and Debye temperature, which weakens the thermal transport properties of the material. These findings suggest that Ge and Si doping is an effective method for improving the thermoelectric properties of the material. At the same doping concentration, the Si single-doped system possesses the smallest bandgap value with the highest peak density of states and forms an indirect bandgap, leading to the best electrical transport properties; the Ge single-doped system has the lowest phonon velocity and Debye temperature, which has the most significant effect in attenuating the thermal transport properties of the material; and the Ge–Si co-doped system has the highest relative mass of carriers, which is conducive to the enhancement of Seebeck coefficient. The results offer theoretical guidance for experimentally analyzing the effects of Ge and Si doping on the thermoelectric properties of Mg3Sb2.

Effects of Ni2+ modified La0.67Ca0.33MnO3 ceramics on their temperature coefficient of resistivity and magnetoresistance properties

Element-modified La0.67Ca0.33MnO3 (LCMO) ceramics have been a major research subject in the past decades due to their various electromagnetic properties and potential applications in infrared detection and magnetic storage devices. However, its electromagnetic transport mechanism has not been fully elucidated and its properties need to be further optimized for practical applications. Here, we report the effect of Ni2+ doping on the structural, magnetic, the temperature coefficient of resistivity (TCR) and magnetoresistance (MR) properties of La0.67Ca0.33Mn1-xNixO3 (LCMNO) ceramics. All samples were synthesized by the sol-gel method and were in pure phase. XRD refinement results show a decrease in lattice constants and cell volume of LCMNO ceramics with increasing Ni2+ content. The XPS study confirms the reduction of the Mn3+/Mn4+ ratio and indicates that oxygen vacancies occur in LCMNO ceramics due to the Ni2+ doping. Curie-Weiss fitting results suggest ferromagnetic superexchange coupling between Ni2+ and Mn3+(4+) ions. The electrical transport properties of LCMNO ceramics were further investigated using the spin polaron hopping model in the high temperature range and the various competing scattering mechanisms in the low temperature range. In addition, double resistivity peak behavior is observed at x = 0.04 and 0.05. Furthermore, the TCR of the LCMNO ceramics increased to 45.4 %·K−1 (x = 0.01), while the MR increased to 67.9 % (x = 0.03), respectively. Our studies contribute to a better understanding of the electromagnetic properties of LCMNO ceramics.

Correlation between structural, morphological, and electrical transport properties of nano-dimensional Tellurium thin film by low energy ion beam irradiation

Tellurium (Te), an emerging semiconductor material, exhibits intriguing physical properties in low-dimensional forms. This study investigates the structural, morphological, and transport properties of low-dimensional Te thin film deposited by physical vapor deposition after 400 keV Kr2+ ion irradiation with varying fluences of 1 × 1013, 5 × 1013, and1 × 1014 ions-cm−2. The X-ray diffraction (XRD) pattern reveals the hexagonal phase of pristine Te. As ion fluence increases, intensity of the XRD peaks decreases and the full-width half maxima (FWHM) increases, indicating a reduction in crystallinity. The intensity of the Raman peak decreases upon irradiation, resulting in a red shift in the spectra of the irradiated sample. The evolution of morphology at different fluences has been examined with atomic force microscopy (AFM) measurements. The results indicate the segregation of grains and an increase in root mean square (RMS) roughness from 2.59 pm to 5.11 pm with ion fluence up to 5 × 1013 ions-cm−2. At the highest fluence, i.e., 1 × 1014 ions-cm−2, there is an agglomeration of grains, and hence a decrease in RMS roughness to 3.92 pm is observed. The DC resistivity measurement indicates the semiconducting nature of all films. Additionally, this measurement signifies the rapid decrease in activation energy at both band-to-band conduction and nearest neighbour hopping (NNH) conduction. Following irradiation, Hall measurement demonstrates a decrease in the concentration of charge carriers and an increase in resistivity due to scattering originating from grain boundaries. However, when the fluence is increased to 1 × 1014 ions-cm−2, there is a reduction in resistivity and an increase in carrier concentration with enhanced Hall mobility in comparison to pristine Te. Therefore, this study showcases that low-energy ion irradiation has a significant impact on the modification of the structure, morphology, and electrical transport properties of semiconducting Te thin film.

Structural, Microstructural, and Electrical Properties Study of Pb(Sn0.45Ti0.55)O3 Ceramics

We undertook a comprehensive investigation of the the structural, dielectric, and electrical characteristics of Pb(Sn0.45Ti0.55)O3 ceramics prepared using the conventional solid-state route. A meticulous preparation protocol, involving solvating various precursors, was followed by extensive characterization employing X-ray diffraction, scanning electron microscopy, and dielectric studies. The synthesized sample features a single-phase tetragonal structure with P4mm symmetry. Using impedance spectroscopy, electrical transport properties of the polycrystalline Pb(Sn0.45Ti0.55)O3(PST) ceramic were studied in detail. Relaxation and conduction mechanisms of the material were inferred using complex impedance, complex electric modulus, and frequency dependent ac conductivity analysis. Impedance spectroscopy results reveal the range of frequencies in which the grain, grain boundary, and electrode effects are dominant. Above certain temperatures, the imaginary component of impedance (Z//) exhibits some resonant type peaks at different frequencies indicating relaxor nature of the sample. The activation energy obtained for both the relaxation and conduction process indicates the role of doubly-ionized oxygen vacancy in the conduction mechanism of the sample. The dielectric relaxation occurring at low frequency and high temperatures is related to the space charges associated with the ionized oxygen vacancies being trapped at the grain boundaries. The Cole-Cole plots confirm the poly-dispersive nature of dielectric relaxation in the sample.

Effects of working pressure during magnetron sputtering on thermoelectric performance of flexible p-type Bi0.5Sb1.5Te3 thin films

The influence of argon working pressure during magnetron sputtering on thermoelectric properties has been investigated on p-type Bi0.5Sb1.5Te3 flexible films deposited at various working pressures in the range from 2 to 5 Pa. The microstructure and orientations, atomic compositions, and carrier concentration could be regulated by adjusting the working pressure, due to the size-dependent inhibition of the deposition of the sputtered Bi, Sb, and Te atoms from argon ions. Profiting from the occurrence of the (006) orientation, the nearest stoichiometric ratio, the highest carrier concentration and mobility, and the quantum confinement effect, the film deposited at 4 Pa displays the maximum power factor of 1095 μW m−1 K−2 at 360 K. These results suggest that the electrical transport properties of the sputtered flexible thermoelectric thin films can be synergistically optimized by selecting an appropriate working pressure.

High-Entropy Engineering in Thermoelectric Materials: A Review

Thermoelectric (TE) materials play a crucial role in converting energy between heat and electricity, essentially for environmentally friendly renewable energy conversion technologies aimed at addressing the global energy crisis. Significant advances in TE performance have been achieved over the past decades in various TE materials through key approaches, such as nanostructuring, band engineering, and high-entropy engineering. Among them, the design of high-entropy materials has recently emerged as a forefront strategy to achieve significantly low thermal conductivity, attributed to severe lattice distortion and microstructure effects, thereby enhancing the materials’ figure of merit (zT). This review reveals the progress of high-entropy TE materials developed in the past decade. It discusses high-entropy-driven structural stabilization to maintain favorable electrical transport properties, achieving low lattice thermal conductivity, and the impact of high entropy on mechanical properties. Furthermore, the review explores the theoretical development of high-entropy TE material and discusses potential strategies for future advancements in this field through interactions among experimental and theoretical studies.

Competing conduction mechanisms for two-dimensional electron gas at LaTiO3/SrTiO3 heterointerfaces

In pursuit of understanding the mechanism of two-dimensional electron gas (2DEG), artificial heterostructures based on SrTiO3 have sparked a wealth of exciting experimental and theoretical results. However, to date, the physical origin of this phenomenon still remains controversial. In our endeavor to unravel the mystery, we have synthesized a series of LaTiO3+δ/SrTiO3 films by controlling growth temperature and oxygen pressure, respectively. X-ray absorption results identify the transition of Ti ions from Ti3+ to Ti4+. It is proved that electrical transport properties in the LaTiO3/SrTiO3 film are dominated by oxygen vacancies in SrTiO3. In addition, the metallic behavior observed in the amorphous LaTiO3/SrTiO3 film suggests contributions from growth-induced donor defects to 2DEG. Our work presents direct evidence of competing conduction mechanisms for the observed 2DEG at the LaTiO3/SrTiO3 interface and highlights the important role of oxygen diffusion from the substrate SrTiO3. Meanwhile, we emphasize the significance of LaTiO3 as an oxygen scale meter to investigate interfacial properties of oxide heterostructures.

Importance of the semimetallic state for the quantum Hall effect in HfTe5

At ambient pressure, HfTe5 is a material at the boundary between a weak and a strong topological phase, which can be tuned by changes in its crystalline structure or by the application of high magnetic fields. It exhibits a Lifshitz transition upon cooling, and three-dimensional (3D) quantum Hall effect (QHE) plateaus can be observed at low temperatures. Here, we have investigated the electrical transport properties of HfTe5 under hydrostatic pressure up to 3 GPa. We find a pressure-induced crossover from a semimetallic phase at low pressures to an insulating phase at about 1.5 GPa. Our data suggest the presence of a pressure-induced Lifshitz transition at low temperatures within the insulating phase around 2 GPa. The quasi-3D QHE is confined to the low-pressure region in the semimetallic phase. This reveals the importance of the semimetallic ground state for the emergence of the QHE in HfTe5 and thus favors a scenario based on a low carrier density metal in the quantum limit for the observed signatures of the quasiquantized 3D QHE. Published by the American Physical Society 2024