Thermoelectric Behavior Research Articles

First-principles insights into thermoelectric behavior of XNiAs (X = Sc, Y) half-Heusler compounds

Abstract Half-Heusler (HH) compounds are regarded as potential candidates for thermoelectric devices to convert waste heat energy into electrical power, which could help mitigate the ongoing energy crisis. In this study, we investigate the structural, electronic, magnetic, and thermoelectric properties of HH compounds XNiAs (X = Sc, Y) using Density Functional Theory (DFT) and semi-classical Boltzmann transport theory (BTE). The compounds are non-magnetic semiconductors with an indirect band gap of 0.48 ( 0.50) eV for ScNiAs (YNiAs) respectively. Both materials show dynamic and mechanical stability, with ScNiAs displaying brittleness and YNiAs exhibiting ductility. At room temperature, the lattice thermal conductivity (κ l ) for ScNiAs is 28.67 W/mK, while for YNiAs, it is 15.21 W/mK and both decrease as the temperature rises. The highest value of power factors is 29.03 μW/cmK2 and 29.74 μW/cmK2 for ScNiAs and YNiAs respectively at 1100 K for n-type doping. The optimal values of the figure of merit (zT) for n-type doping are 0.33 for ScNiAs and 0.58 for YNiAs at 1100 K. Both compounds exhibit better thermoelectric performance for n-type doping compared to p-type doping. The presence of flat bands and higher κ l limits these materials from achieving higher zT values.

Variations in the optical and thermoelectric behavior of ZnCo2O4 nanostructures as a function of synthesis temperature

Zinc cobalt oxide nanostructures were synthesized by electrochemical deposition of zinccobalt alloy at various bath temperatures (15, 30, 45 and 60 ˚C) and its hydrothermal oxidation at 100 ˚C. X-ray diffraction pattern and Raman spectroscopy data reveals the formation of spinal structure of ZnCo2O4. Photoluminescence spectra of the samples exhibit broad peaks with a red shift in the emission energy. Diffused reflectance spectroscopy measured the band gap of the synthesized materials; band gap is 3.06, 3.03, 3.02 and 2.99 eV, for samples electrodeposited at 15, 30, 45 and 60 ˚C, respectively. Optical conductivity of synthesized materials decreases with increasing deposition layers while reflectance shows opposite trend. Thermoelectric set up measures the change in potential difference through synthesized materials when different temperatures are applied and an increment in potential were observed. Seebeck co-efficient and power factor are also studied as function of bath temperature.

Free‐Standing, Multifunctional Thermoelectric and Acoustic Absorbing Nanocomposite Foams

AbstractThermoelectric materials are potential energy harvesting technologies that enable direct, clean conversion between thermal and electrical energy. The efficacy of thermoelectric energy conversion is influenced by the electrical conductivity, thermal conductivity, and Seebeck coefficient. Flexibility, manufacturability, and cost‐effectiveness are also important factors. Polymeric nanocomposites offer advantages in these respects. However, the development of conductive‐polymer thermoelectric materials is limited to an in‐plane architecture, which does not resemble common real‐world scenarios. Moreover, existing works have low thermoelectric properties or rely on additives for performance improvement. In this work, a free‐standing thermoelectric nanocomposite foam is fabricated via the integration of thermally activated microspheres. Due to the microstructure, a thermal conductivity as low as 0.03 W m−1 K−1 is achieved, which is lower than reported for aerogels fabricated via freeze‐drying methods. Additionally, the nanocomposite foam can reach a maximum electrical conductivity of 1.13 S cm−1, power factor of 0.12 µW m−1 K−2, and thermoelectric figure of merit of 3.0 × 10−4. The study also evaluated the compressive stiffness and demonstrated the potential for sound absorption. With the unique combination of the thermoelectric, sound absorption, and mechanical behavior, these nanocomposite foams would offer versatile solutions to address the next generation energy harvesting and acoustic absorption applications.

Unveiling half-metallic, thermoelectric and optoelectronic behavior of the new Heusler alloy RbCrZ (Z = Si, Ge): a DFT perspective

Abstract Utilizing the density functional theory (DFT) method, this study aims to predict with precision the structural, elastic, electronic, magnetic, thermoelectric, thermal, and optical properties of two recently discovered half-Heusler alloys, namely RbCrSi and RbCrGe. The exchange and correlation potential are accounted for using the generalized gradient approximation of Perdew–Burke–Ernzerhof (GGA-PBE) and the Tran–Blaha-modified Becke–Johnson exchange potential (TB-mBJ). Through structural analysis, it is observed that both RbCrSi and RbCrGe alloys exhibit energetic stability in a type-3 structure with a ferromagnetic (FM) state. Both alloys exhibit half-metallic properties and integer magnetic moments of 3 μB, following the Slater-Pauli rule. Additionally, elastic calculations confirm their mechanical stability and anisotropic ductile behavior. The quasi-harmonic Debye model (QHDM) is employed for calculating thermodynamic properties, while the BoltzTraP code, based on semi-classical Boltzmann theory (SCBT), is utilized for evaluating thermoelectric properties. Findings reveal that RbCrZ alloys (with Z = Si, Ge) exhibit high figure of merit (ZT) values nearing unity at highest temperature. Consequently, the newfound half-Heusler alloys RbCrSi and RbCrGe hold significant promise for applications in thermoelectricity and spintronic devices. This comprehensive analysis underscores the potential of these alloys in the realm of renewable energy applications.

Investigation of electronic, optical and thermoelectric properties in orthorhombic perovskite SmFeO3

In this work, we have investigated the electronic, optical, and thermoelectric properties of orthorhombic perovskite SmFeO3 using density functional and Boltzmann transport theories, for renewable energy applications. The modeling of the exact electron exchange-correlation has been carried out using both Generalized Gradient Approximation (GGA) and a functional modified with Hubbard interactions. The spin-polarized calculations show that SmFeO3 adopts a G-type antiferromagnetic configuration. The studied compound's electronic band structure and density of states analysis reveal its p-type semiconductor behavior. Furthermore, the optical properties such as real ε1(ω) and imaginary ε2(ω) components of the dielectric function as well as other conventional optical parameters, were investigated. The results show that SmFeO3 is a promising material for optoelectronic applications. The calculated transport properties including the Seebeck coefficient (S), the electrical conductivity (σ/τ), the electronic thermal conductivity (k0/τ) and the electronic figure of merit (ZTe) show significant results. The studied perovskite is also a potential candidate for thermoelectric applications, due to its high Seebeck coefficient, reaching 2388 μV/K, and the large electronic figure of merit which is close to 1 at room temperature. To improve the thermoelectric performance of SmFeO3 material, we have studied the effect of both p-type and n-type doping on its thermoelectric behavior at different temperature values.

Electronic, optical, and thermoelectric behaviour of KCuX (X = S, Se, Te) monolayers.

In the past few decades, two-dimensional (2-D) materials gained huge deliberation due to their outstanding electronic and heat transport properties. These materials have effective applications in many areas such as photodetectors, battery electrodes, thermoelectrics, etc. In this work, we have calculated structural, electronic, optical, and thermoelectric properties of KCuX (X = S, Se, Te) monolayers (MLs) with the help of first-principles-based calculations and semi-classical Boltz- mann transport equation (BTE). The phonon dispersion calculations demonstrate the dynamical stability of the KCuX (X = S, Se, Te) MLs. Our results show that the monolayers of KCuX (X = S, Se, Te) are semiconductors with band gaps of 0.193 eV, 0.26 eV, and 1.001 eV respectively, and therefore they are suitable for photovoltaic applications. The optical analysis illustrates that the maximum absorption peaks of the KCuX (X = S, Se, Te) MLs are located in visible and ultraviolet (UV) regions, which may serve as a promising candidate for designing advanced optoelectronic devices. Furthermore, thermoelectric properties of the KCuS and KCuSe MLs, including See- beck coefficient, electrical conductivity, electronic thermal conductivity, power factor, and figure of merit, are calculated at different temperatures 300 K, 600 K, and 800 K. Additionally, we also focus on the analysis of Gru ̈neisen parameter and various scattering rates to further explain their ultra-low thermal conductivity. Our results show that KCuS and KCuSe possess ultra-low lattice thermal conductivity value of 0.15 Wm-1K-1 and 0.06 Wm-1K-1 respectively, which is lower than those of recently reported KAgSe (0.26 Wm-1K-1 at 300 K) and TlCuSe (0.44 Wm-1K-1 at 300 K), indicating towards the large value of ZT. These materials are found to possess desirable thermoelectric and optical properties, making them suitable candidates for efficient thermoelectric and optoelectronic device applications.

Effects of lattice instability on the thermoelectric behavior of kagome metal ScV6Sn6

Kagome metal ScV6Sn6 has been a subject of interest due to the emergence of a first-order structural phase transition with intriguing charge density wave behavior below the transition temperature Tc ∼ 92 K. To explore the thermoelectric properties and provide experimental insights into the nature of the phase transition, we have carried out a combined study by means of the electrical resistivity, Seebeck coefficient, and thermal conductivity measurements on single crystalline ScV6Sn6. Pronounced features near Tc have been characterized by all measured physical quantities. In particular, the Seebeck coefficient exhibits a marked reduction as lowering temperature across Tc, attributed to an imbalance of the contribution from different type of carriers induced by the structural phase transition. From the examination of the electronic and lattice thermal conductivities, we obtained a confirmation that the observed enhancement at Tc is essentially caused by the change of the lattice thermal conductivity, demonstrating the primary importance of lattice distortions for the heat transport of ScV6Sn6. In addition, the lattice thermal conductivity above Tc was found to increase monotonically with temperature. We associated the peculiar phenomenon with lattice fluctuations, highlighting the essence of structural instability in the kagome lattice ScV6Sn6. These results add to the knowledge about the thermal transport properties in kagome materials with a hexagonal HfFe6Ge6-type structure.

Thermo-electric behavior analysis and coupled model characterization of 21,700 cylindrical ternary lithium batteries affected by cyclic aging

In order to achieve a balance between the precision of thermal behavior simulation of lithium batteries affected by cyclic aging and the practicality of engineering popularization and application, a simple degraded battery thermal model needs to be constructed. In this article, a characterization approach for the coupled battery thermo-electric model affected by cyclic aging is designed. This method is suitable for simulating the thermal behavior of lithium degraded batteries with different materials and shapes under different environmental temperatures. This paper introduces the idea by taking the 21,700 cylindrical ternary lithium batteries as an example. Firstly, based on the interaction mechanism between the growth of the solid electrolyte interface film on the battery negative electrode surface at the microscopic level and the battery thermoelectric coupling characteristics at the macro level, the paper constructs a theoretical model of the degraded battery. Further, it conducts experiments to analyze the battery charging and discharging behaviors in the process of cyclic aging. Based on experimental data, this paper conducts multiple fitting calculations to extract essential modeling parameters. Subsequently, this paper builds the battery physical model in the simulation software based on the above modeling parameters. It applies the battery physical model to simulate the thermal characteristics and temperature field. Then, it conducts experiments to demonstrate the precision of the model. This paper uses the infrared imaging technique to visualize and analyze temperature field variations on the battery surface. And it uses thermocouple temperature sensors to capture the battery surface temperature changes. The simulation results are compared with the experimental data, the errors are less than 5 %. Compared with other existing battery thermal models, the model of this paper is more suitable for engineering popularization and application of thermal behavior simulation of lithium batteries affected by cyclic aging.

Lattice Boundary Enhancement on Thermoelectric Behaviors of Heavily Boron‐Doped Silicon for Energy Harvesting: Electrical versus Thermal Conductivity

Lattice Boundary Enhancement on Thermoelectric Behaviors of Heavily Boron‐Doped Silicon for Energy Harvesting: Electrical versus Thermal Conductivity

Alkali-based half metals as sustainable materials for spin electronics and energy harvesting application — Materials computation

The structural, mechanical, electronic, magnetic, and thermoelectric properties of alkali-based half-Heusler alloys (LiCrGe, LiCrSn, and LiCrPb) are investigated using the Wien2k code. These alloys exhibit half-metallic behavior in both ferromagnetic and antiferromagnetic phases. A phase transition from a stable ferromagnetic phase to a more stable antiferromagnetic phase indicates ductility. In the antiferromagnetic phase, using GGA exchange–correlation functional with 10,000 K-points, a band gap is observed in the spin-up state, with band gap energies of 0.9367 eV, 0.7762 eV, and 0.7913 eV, respectively. The alloys have a spin magnetic moment of −3μB, consistent with the Slater–Pauling rule. They also exhibit high Curie temperatures and 100% spin polarization in the spin-down state. The alloys LiCrZ (Z = Ge, Sn, Pb) shows promising thermoelectric behavior. Using the BolzTrap package, we observed, high Seebeck coefficient, electrical conductivity, low thermal conductivity, and enhanced power factor. The p-type LiCrZ (Z = Ge, Sn, Pb) compounds show thermoelectric figure of merit of 0.52, 0.76, and 0.84 at 1200 K, while n-type compounds have figure of merit of 0.56, 0.65, and 0.80 at the same temperature. These properties make these materials promising for spintronic and thermoelectric applications.

Understanding the Anomalous Thermoelectric Behavior of Fe-V-W-Al-Based Thin Films.

We investigated the thermoelectric and thermal behavior of Fe-V-W-Al-based thin films prepared using the radio frequency magnetron sputtering technique at different oxygen pressures (0.1-1.0 × 10-2 Pa) and on different substrates (n, p, and undoped Si). Interestingly, at lower oxygen pressure, formation of a bcc-type Heusler structure was observed in deposited samples, whereas at higher oxygen pressure, we have noted the development of an amorphous structure in these samples. Our findings indicate that the moderately oxidized Fe-V-W-Al amorphous thin film deposited on the n-Si substrate possesses a large magnitude of S ∼ -1098 ± 100 μV K-1 near room temperature, which is almost double the previously reported value for thin films. Additionally, the power factor (PF) indicated an enormously large value of ∼33.9 mW m-1 K-2 near 320 K. The thermal conductivity of the amorphous thin film is also found to be 2.75 Wm-1 K-1, which is quite lower compared to bulk alloys. As a result, the maximum figure of merit is estimated to be extremely high, i.e., ∼3.9 near 320 K, which is among one of the highest reported values so far. The anomalously large value of Seebeck coefficient and PF has been ascribed to the unusual composite effect of the metallic amorphous oxide phase and insulating substrate possessing a large Seebeck coefficient.

Enhancing thermoelectric performance in flexible fabric-based Mo-doped CuAl2O4: Insights into carrier type modification and electrical conductivity optimization

In this work, we report the thermoelectric behaviour of flexible fabric-based Mo doped CuAl2O4. The doped Mo atom occupies the interstitial positions of the spinel lattice of CuAl2O4. This results the lattice expansion and also provides the carrier electrons. Initially, the pristine CuAl2O4 has the carrier concentration of 2.81 × 1014 cm−3, while doping with molybdenum, it not only increases the concentration of the carriers (about −7.65 × 1015 cm−3), but also changes the carrier type. The minimum doping (2 %) of molybdenum to spinel CuAl2O4 (CuAl2O4Mo0.02) creates the fermi level near to the conduction band, which reduces the band gap and results in the effective electrical conductivity as 0.69 Scm−1 at 340 K. The heavy doping enhances the scattering process. This leads to deduction of mobility and lower the electrical conductivity. The highest power factor of 0.0599 μWcm−1K−2 is achieved for the CuAl2O4Mo0.06 sample at 300 K. This is due to the high Seebeck coefficient value of the sample and has an ultralow thermal conductivity value of 0.056 W/mK. The highest output voltage of 3.9 mV is achieved for parallelly connected p-type CuAl2O4 -n-type CuAl2O4Mo0.02 thermoelectric device at the temperature difference of ΔT = 4.1 K. This research findings justify, the doping of molybdenum in the spinel lattice effectively enhances the thermoelectric properties of CuAl2O4 and provide the new ideas for the flexible, wearable fabric based thermoelectric research.

Tuning of optical, thermodynamic, and thermoelectric properties of Cs2CuBiX6 (X = Cl, Br, I) halide perovskites for solar cells and energy harvesting applications

The double perovskites are outstanding materials for solar cells and transport applications to clean harvest energy. Therefore, the Cs2CuBiX6 (X = Cl, Br, I) are discussed comprehensively for energy harvesting by modified Becke and Johnson (mBJ) potential. The studied DPs fit the structural, mechanical, and dynamic stability scale by tolerance factor, Born–Huang criteria, and phonon dispersion band structures. The band gaps (1.20, 1.0, 0.70) eV for (Cl, Br, I) based DPs ensure the Cs2CuBiCl6 has an absorption band in the visible region while Cs2CuBiBr6 and Cs2CuBiI6 has an absorption band in the infrared region. Heavy elements’ spin–orbit coupling effect (Cs, Bi) reduces the band gap to 0.08 eV. Thermoelectric behavior regarding the merit scale against dopant carriers and temperature has been elaborated. The ultralow lattice thermal conductivity, large Debye temperature, hardness, and melting temperature increase their implication for thermoelectric and other thermodynamic applications. The variation in band gap makes them important for diverse optoelectric and thermoelectric applications. The Cs2CuBiCl6 with a band gap of 1.20 eV is suitable for solar cells, while Cs2CuBiBr6 and Cs2CuBiI6 with band gaps of 1.0 eV and 0.70 eV are significant for thermoelectric generators.

Unveiling the energy driven potential Sc-based double perovskite through comprehensive DFT screening on physical, optoelectronic and transport characteristic of Sr2ScAsO6 compound

Recently, double perovskites have been emerged as promising candidates due to their enthralling electronic as well as thermoelectric properties. In our present investigation, we have made a systematic effort to evaluate the optical properties along with elastic, mechanical and thermoelectric properties of Sr2ScAsO6 using DFT tactics as implemented with WIEN2k code. The exchange - correlation potential has been treated with various approximations like LDA, PBE-GGA, WC-GGA and PBE-sol GGA. The formation energy, cohesive energy and tolerance factor have been computed for the studied double perovskite to confirm its thermodynamic as well as structural stability in the cubic phase. The ductility as well as brittleness of the compound have been checked by evaluating the B/GH and Poisson's ratios. The value of band gap is found to be 2.147 eV with PBE-GGA + TB-mBJ method, which is the accurate mode of band gap computations. The spin-orbit coupling effect and its exclusion were considered during the calculations. The temperature and pressure dependency of thermodynamic properties have been studied with the aid of modified-Gibbs2 model. The thermoelectric behaviour of the studied double perovskite has been explored and found to hold a power factor of 12.2 × 1012 W m−1 K−2 s−1 at 1200 K. As these compositions have high room temperature figure of merit values and recorded values of 0.035, they are also suitable for application in thermoelectric devices.

Prediction of X2AuYZ6 (X = Cs, Rb; Z = Cl, Br, I) double halide perovskites for photovoltaic and wasted heat management device applications

We used density functional theory to study the phase stability, the opto-electronic properties, and the thermo-electric behavior of X2AuYZ6 (where X = Cs, Rb, and Z = Cl/Br/I) double halide perovskites. The compounds belong to the cubic perovskite arrangement and are verified by the tolerance and octahedral factor. Formation enthalpy and binding energy primarily meet the requirements for structural stability. The positive frequency of phonon dispersion shows that all compounds are dynamically stable except for Rb2AuYI6. The negative formation energy considering the competing phase also confirmed that all compounds are thermodynamically stable. The Pugh's ratio, Poisson's ratio, and Cauchy pressure validated their ductile nature in the analysis of thermo-mechanical behavior. The electronic characteristics of Cs2AuYZ6 (Rb2AuYZ6) [Z = Cl, Br, I] double halide perovskites (DHP) have been investigated using the TB-mBJ technique, yielding band gap values of 2.85 (2.91), 2.35 (2.40), and 1.74 (1.78) eV, in that order. The optical properties are calculated, revealing the maximum absorption coefficients with respect to wavelength in the visible range of the titled compounds are 0.23 (0.35) × 105 cm−1, 1.01 (1.06) × 105 cm−1, and 1.42 (1.48) × 105 cm−1, respectively, indicating their potential for photovoltaic applications. The thermo-electric transport properties were also studied. The investigated compounds [Cs (Rb)-based] exhibit ZT values of 0.51 (0.55), 0.53 (0.62), and 0.58 (0.75) at room temperature with Cl, Br, and I, respectively. As a result, the studied compounds, particularly those Rb-based with halides, have significantly greater potential than Cs in thermoelectric fields. So, among the compounds, X2AuYI6 (X = Cs, Rb) shows the most promise for the technological applications mentioned above due to its lower band gap, high absorption coefficient, and high ZT value.

A computational approach to study optoelectronic thermoelectric behavior of ternary zinc Aluminates ZnAl2X4 (X = S, Se, Te) for low-cost energy technologies

The search for cost-effective, high-performing energy technologies has accelerated the study of new materials possessing exceptional thermoelectric qualities. This work uses a computational method to explore the thermoelectric and optoelectronic properties of ternary compounds with the goal of finding promising candidates for energy-related uses. We employ Boltzmann transport equations and density functional theory (DFT) to methodically examine the optical characteristics, electronic structure, and thermoelectric performance of ZnAl2X4 (X = S, Se, Te) compounds. The band profile reveals a semiconducting nature with direct band gap of 3.41, 3.31, 2.61 eV in ZnAl2S4, ZnAl2Se4 and ZnAl2Te4. Further, the plots of electron localization functions (ELF) provide a clear illustration of the significant hybridization of Zn-d, Al-p, and X-p states observed from the density of states. High values of optical absorbance and conductivities in UV regions confirm strong luminescent properties. The reflectance shows a red shift with increasing size and atomic no. of the chalcogenide atoms. Further, thermoelectric efficiency for these materials is estimated by calculating figure of merit values of 0.97, 0.77 and 0.716 at room temperature. Present study suggests these materials’ suitability for next-generation optical and thermoelectric devices.

Temperature Dependent Thermodynamical and Thermoelectric Behaviour of Hafnium Based Insulators: An Ab-inito Characterization

Temperature Dependent Thermodynamical and Thermoelectric Behaviour of Hafnium Based Insulators: An Ab-inito Characterization

Computational investigation of electronic, thermoelectric, and optical properties in Cs2Li[formula omitted](X = Br, I) for energy harvesting applications

The remarkable potential of double perovskite materials, characterized by lead-free, non-toxic attributes and robust dynamical stability, positions them as highly promising candidates for both thermoelectric and optoelectronic applications. In light of this, a comprehensive investigation is undertaken through density functional theory to thoroughly explore the optoelectronic and transport characteristics of Cs2LiBiX6 (X = Br, I) double perovskite materials. To ascertain dynamic stability, phonon dispersion band structures are computed, and the structural stability is evaluated through the tolerance factor. The resulting band structures reveal narrow band gaps of 3.45 eV and 1.79 eV for the Br and Indium-based DPs, respectively. These narrow band gaps hold significant importance for applications such as ultraviolet detectors and other optoelectronic devices that function in the visible and UV-light spectrum. Notably, absorption peaks of maximal intensity emerge at 5.1 eV (76 nm) and 4.0 eV (67 nm) for the Br and Indium-based double perovskites, respectively. Furthermore, a comprehensive analysis of thermoelectric behavior is conducted, encompassing the figure of merit, power factor, Seebeck coefficient, and the ratio of electrical to thermal conductivity across a temperature range of 50–800 K. The exceptionally low lattice vibration values, coupled with a substantial enhancement in the thermoelectric figure of merit (ZT), notably underscore their significance for advanced thermoelectric generator applications.

Insights into Ag2Mo3SeO12 for photovoltaic and optoelectronic applications: A theoretical exploration of its structural, electronic, and thermoelectric behavior

The theoretical investigation of the newly discovered quadruple perovskite Ag₂Mo₃SeO₁₂ was conducted using density functional theory (DFT) with the generalized gradient approximation (GGA-PBE) for the structural properties. This study examined the compound's structural, electronic, optical, and thermoelectric properties, utilizing the Tran Blaha modified Becke-Johnson exchange potential (mBJ) for accurate band gap measurement to overcome the bandgap underestimation by GGA-PBE. The stable structure was confirmed through energy-volume optimization and fitted with the Birch-Murnaghan equation of state, using PBE-GGA exchange correlation functional. The findings revealed a band structure with direct transition under the TB-mBJ approach with an energy gap of 1.45 eV. Detailed analyses were conducted, including the density of states and charge density distribution maps. Various optical parameters such as the dielectric function, absorption coefficient, refractive index, and reflectivity were computed, with the static dielectric constant measured at 6.3. Notably, a significant evolution of the absorption coefficient in the visible region highlights the potential of Ag₂Mo₃SeO₁₂ for solar cell and optoelectronic applications. These results pave the way for new photovoltaic material designs. Furthermore, the material demonstrates promising thermoelectric properties with an appropriate figure of merit, Seebeck coefficient, and electrical and thermal conductivity evolution under different temperature conditions, indicating its potential for photovoltaic and optoelectronic applications.

Fluctuation effects in superconducting nanowires under electric field

This study applies the time-dependent Ginzburg–Landau (TDGL) theory with thermal noise to analyze the thermoelectric and transport properties of superconducting Sn nanowires, focusing on the thermopower (αxx) and the phase transition characteristics in the S-shaped J-E curves. We observe significant contributions from superconducting Cooper pairs, which remain nonzero above the critical temperature (Tc), indicating residual superconductivity due to strong thermal fluctuations. The S-like shape in the J-E curves is attributed to a dynamical instability transition temperature (T∗) at approximately 2.9 K, where thermal fluctuations dominate. Furthermore, we compare the resistance in the linear response to experimental data for Sn nanowires both below and above Tc. Below Tc, the resistance sharply decreases, reflecting the robust superconducting state, while above Tc, it increases, aligning with normal state behavior. In nonlinear response case, our results indicate that high electric fields can be effectively used to suppress order-parameter fluctuations and the electrical conductivity in superconducting nanowires. The findings provide critical insights into the thermoelectric behavior and phase transitions in Sn nanowires, highlighting the importance of Cooper pair dynamics in shaping the transport properties of one-dimensional superconductors. This understanding is essential for the development of advanced nanoelectronic devices leveraging these unique superconducting properties.