Temperature-dependent Transport Research Articles

Temperature-dependent charge transport measurements unveil morphological insights in non-fullerene organic solar cells

The morphological analysis of bulk heterojunction (BHJ) active layer stands as a critical imperative for advancing the performance of future organic solar cells. Conventional characterization tools employed for morphological investigation often require substantial resources, both in cost and physical space, thereby imposing restraints on research endeavors in this domain. Here, we extend the application of charge carrier transport characterization beyond conventional mobility assessments, utilizing it as a table-top method for preliminary morphological screening in organic thin films. The investigation focuses on several high-performance BHJ systems that utilize typical “Y” non-fullerene acceptors. It involves in-depth transport studies, including temperature- and field-dependent transport characterizations. The resulting transport data are analyzed in detail using the Gaussian disorder model to extract key transport parameters, specifically the high-temperature limited mobility (μ∞) and positional disorder (∑). Integrating these transport parameters with morphological insights obtained through various characterization tools—including x-ray scattering, sensitive spectroscopy, and quantum chemistry simulation—provides a deep understanding of the intricate interplay between charge transport properties and morphological characteristics. The results reveal explicit relationships, associating μ∞ with the degree of molecular stacking in BHJs and ∑ with the structural disorder in molecule skeleton. Our findings point to the promising potential of utilizing a simple transport characterization technique for the early stage evaluation of thin film packing and geometric properties of organic materials.

Magnon excitation-induced spin memory loss in epitaxial L10-FePt/MgO/L10-FePt magnetic tunnel junctions

This work investigates the interplay between interfacial spin–orbit coupling (SOC) and magnon excitation-induced spin memory loss in epitaxial L10-FePt/MgO/L10-FePt magnetic tunnel junctions, which is crucial for advancing spintronic technologies. By employing systematic temperature-dependent transport measurements and inelastic electron tunneling spectroscopy, our study reveals that interfacial SOC at the Pt-terminated FePt/MgO interface significantly enhances magnon excitation during electron tunneling. This process results in a pronounced loss of spin memory in the spin-polarized current, diminishing the tunnel magnetoresistance ratio. Our findings provide critical insights into the mechanisms of spin memory loss, offering directions for optimizing spintronic device performance in the context of pronounced SOC environments.

All-2D CVD-grown semiconductor field-effect transistors with van der Waals graphene contacts

Two-dimensional (2D) semiconductors and van der Waals (vdW) heterostructures with graphene have generated enormous interest for future electronic, optoelectronic, and energy-harvesting applications. The electronic transport properties and correlations of such hybrid devices strongly depend on the quality of the materials via chemical vapor deposition (CVD) process, their interfaces and contact properties. However, detailed electronic transport and correlation properties of the 2D semiconductor field-effect transistor (FET) with vdW graphene contacts for understanding mobility limiting factors and metal-insulator transition properties are not explored. Here, we investigate electronic transport in scalable all-2D CVD-grown molybdenum disulfide (MoS2) FET with graphene contacts. The Fermi level of graphene can be readily tuned by a gate voltage to enable a nearly perfect band alignment and, hence, a reduced and tunable Schottky barrier at the contact with good field-effect channel mobility. Detailed temperature-dependent transport measurements show dominant phonon/impurity scattering as a mobility limiting mechanisms and a gate-and bias-induced metal-insulator transition in different temperature ranges, which is explained in light of the variable-range hopping transport. These studies in such scalable all-2D semiconductor heterostructure FETs will be useful for future electronic and optoelectronic devices for a broad range of applications.

Role of the coupling of the electronic transitions on the order of the metal-to-insulator phase transition in nickelates

Rare-earth nickelates (chemical formula RNiO3, R being a rare-earth cation) display a temperature-dependent metal-to-insulator transition (MIT) together with a breathing distortion of the NiO6 octahedra units at a temperature ranging from 0 to 600 K depending on the size of the R cation. Their rich phase diagram is also characterized by a paramagnetic to antiferromagnetic transition that occurs at the same temperature as the MIT for R = Pr, Nd, while it arises at lower temperatures for all the other members of the series. In this work, we have investigated the order of the MIT in a portion of the phase diagram spanning from SmNiO3 to NdNiO3 by means of temperature dependent transport measurements and resonant elastic x-ray scattering performed on high quality epitaxial SmxNd1−xNiO3 solid solution thin films. Our results show that the order of the metal-to-insulator transition does not depend on whether or not the MIT is coupled with the magnetic transition.

Revisiting thermal transport in CuInTe2: Role of temperature-dependent anharmonicity and higher-order phonon–phonon interactions

The temperature-dependent phonon thermal transport in CuInTe2 is investigated by considering lattice thermal expansion, temperature-dependent anharmonicity, higher-order phonon–phonon interactions, and phonon renormalization with input from first-principles based density functional theory calculations. Incorporating these higher-order temperature-dependent effects reveals that the thermal conductivity varies with temperature as T−1.59 consistent with experimental measurements ranging from T−1.62 to T−1.78. Using the lowest-order theory or only temperature-dependent interatomic force constants or four-phonon scattering resulted in a wrong description of thermal transport physics.

Modeling temperature-dependent transport properties in dissipative particle dynamics: A top-down coarse-graining toward realistic dynamics at the mesoscale.

Dissipative particle dynamics (DPD) is a widespread computational tool to simulate the behavior of soft matter and liquids in and out of equilibrium. Although there are many applications in which the effect of temperature is relevant, most of the DPD studies have been carried out at a fixed system temperature. Therefore, this work investigates how to incorporate the effect of system temperature variation within the DPD model to capture realistic temperature-dependent system properties. In particular, this work focuses on the relationship between temperature and transport properties, and therefore, an extended DPD model for transport properties prediction is employed. Transport properties, unlike the equilibrium properties, are often overlooked despite their significant influence on the flow dynamics of non-isothermal mesoscopic systems. Moreover, before simulating the response of the system induced by a temperature change, it is important to first estimate transport properties at a certain temperature. Thus here, the same fluid is simulated across different temperature conditions using isothermal DPD with the aim to identify a temperature-dependent parametrization methodology, capable of ensuring the correctness of both equilibrium and dynamical properties. Liquid water is used as a model system for these analyses. This work proposes a temperature-dependent form of the extended DPD model where both conservative and non-conservative interaction parameters incorporate the variation of the temperature. The predictions provided by our simulations are in excellent agreement with experimental data.

Characterization of induced quasi-two-dimensional transport in n-type InxGa1−xAs1 − yBiy bulk layer

The temperature-dependent transport properties of n-type InGaAsBi epitaxial alloys with various doping densities are investigated by conducting magnetoresistance (MR) and Hall Effect (HE) measurements. The electronic band structure of the alloys and free electron distribution were calculated using Finite Element Method (FEM). Analysis of the oscillations in the transverse (Hall) resistivity shows that quasi-two-dimensional electron gas (Q-2D) in the bulk InGaAsBi epitaxial layer (three-dimensional, 3D) forms at the sample surface under magnetic field even though there is no formation of the spacial two-dimensional electron gas (2DEG) at the interface between InGaAs and InP:Fe interlayer. The formation of Q-2D in the 3D epitaxial layer was verified by temperature and magnetic field dependence of the resistivity and carrier concentration. Analysis of Shubnikov-de Haas (SdH) oscillations in longitudinal (sample) resistivity reveals that the electron effective mass in InGaAsBi alloys are not affect by Bi incorporation into host InGaAs alloys, which verifies the validity of the Valence Band Anti-Crossing (VBAC) model. The Hall mobility of the nondegenerate samples shows the conventional 3D characteristics while that of the samples is independence of temperature for degenerated samples. The scattering mechanism of the electrons at low temperature is in long-range interaction regime. In addition, the effects of electron density on the transport parameters such as the effective mass, and Fermi level are elucidated considering bandgap nonparabolicity and VBAC interaction in InGaAsBi alloys.

Understanding the Electronic Transport of Al-Si and Al-Ge Nanojunctions by Exploiting Temperature-Dependent Bias Spectroscopy.

Understanding the electronic transport of metal-semiconductor heterojunctions is of utmost importance for a wide range of emerging nanoelectronic devices like adaptive transistors, biosensors, and quantum devices. Here, we provide a comparison and in-depth discussion of the investigated Schottky heterojunction devices based on Si and Ge nanowires contacted with pure single-crystal Al. Key for the fabrication of these devices is the selective solid-state metal-semiconductor exchange of Si and Ge nanowires into Al, delivering void-free, single-crystal Al contacts with flat Schottky junctions, distinct from the bulk counterparts. Thereof, a systematic comparison of the temperature-dependent charge carrier injection and transport in Si and Ge by means of current-bias spectroscopy is visualized by 2D colormaps. Thus, it reveals important insights into the operation mechanisms and regimes that cannot be exploited by conventional single-sweep output and transfer characteristics. Importantly, it was found that the Al-Si system shows symmetric effective Schottky barrier (SB) heights for holes and electrons, whereas the Al-Ge system reveals a highly transparent contact for holes due to Fermi level pinning close to the valence band with charge carrier injection saturation due to a thinned effective SB. Moreover, thermionic field emission limits the overall electron conduction, indicating a distinct SB for electrons.

Mechanisms of Hysteresis and Reversibility across the Voltage-Driven Perovskite-Brownmillerite Transformation in Electrolyte-Gated Ultrathin La0.5Sr0.5CoO3-δ.

Perovskite cobaltites have emerged as archetypes for electrochemical control of materials properties in electrolyte-gate devices. Voltage-driven redox cycling can be performed between fully oxygenated perovskite and oxygen-vacancy-ordered brownmillerite phases, enabling exceptional modulation of the crystal structure, electronic transport, thermal transport, magnetism, and optical properties. The vast majority of studies, however, have focused heavily on the perovskite and brownmillerite end points. In contrast, here we focus on hysteresis and reversibility across the entire perovskite ↔ brownmillerite topotactic transformation, combining gate-voltage hysteresis loops, minor hysteresis loops, quantitative operando synchrotron X-ray diffraction, and temperature-dependent (magneto)transport, on ion-gel-gated ultrathin (10-unit-cell) epitaxial La0.5Sr0.5CoO3-δ films. Gate-voltage hysteresis loops combined with operando diffraction reveal a wealth of new mechanistic findings, including asymmetric redox kinetics due to differing oxygen diffusivities in the two phases, nonmonotonic transformation rates due to the first-order nature of the transformation, and limits on reversibility due to first-cycle structural degradation. Minor loops additionally enable the first rational design of an optimal gate-voltage cycle. Combining this knowledge, we demonstrate state-of-the-art nonvolatile cycling of electronic and magnetic properties, encompassing >105 transport ON/OFF ratios at room temperature, and reversible metal-insulator-metal and ferromagnet-nonferromagnet-ferromagnet cycling, all at 10-unit-cell thickness with high room-temperature stability. This paves the way for future work to establish the ultimate cycling frequency and endurance of such devices.

Temperature-dependent conduction and transport mechanisms in pure and Zn-doped MgO nanomaterials

Temperature-dependent conduction and transport mechanisms in pure and Zn-doped MgO nanomaterials

Vanishing viscosity limit to the planar rarefaction wave with vacuum for 3-D full compressible Navier–Stokes equations with temperature-dependent transport coefficients

Vanishing viscosity limit to the planar rarefaction wave with vacuum for 3-D full compressible Navier–Stokes equations with temperature-dependent transport coefficients

Lead free A2NaInI6 (A = Cs, Rb, K) double perovskites for optoelectronic and thermoelectric applications

Alkali metal substitution in double perovskites is an appropriate approach to deliberate tuning of band edges which play a vital role in bandgap engineering of emerging semiconducting materials. Here we tuned the optoelectronic behavior by carefully engineering the band edges in A2NaInI6 (A = Cs, Rb, K) systems and by tuning the alkali atoms at A site using density functional theory based WIEN2K code. First of all, the unit cell is relaxed to find the optimized lattice parameters. The substitution of smaller-sized cation at the A site leads to the reduction in lattice parameter which shifts the absorption edge towards a shorter wavelength and reduces the bandgap energy. The value of bandgap energy is noticed at 1.60 eV for Cs2NaInI6 which increases to 1.65 and 1.70 eV for Rb2NaInI6 and K2NaInI6 respectively. The computation of the elastic constant’s dependent modulus of elasticity and the Pugh and Poisson ratio confirm their brittle nature. Their viability for solar-thermoelectric generators is carried out by computing the temperature-dependent transport parameters using the BoltzTrap code showing the potential of these systems for solar thermoelectric generators.

Intertwined crystal structure, magnetic, and charge transport properties in mixed valent A-site ordered manganite NdBaMn2O6

In the present work, we report a correlation between crystal structure, magnetic, and electrical properties in an exotic magnetic compound, NdBaMn2O6 having ∼92% ordering between Nd and Ba, investigated using temperature-dependent synchrotron x-ray diffraction (XRD), dc magnetization and transport measurements. Temperature-dependent XRD data reveals that the compound undergoes various complex crystallographic phase transitions from high-temperature (T > 320 K) P4/mmm phase to intermediate (320 K – 280 K) Cmmm phase to a mixed (Cmmm and P21am) phase (280 K – 220 K) and to low-temperature P21am phase (T < 220 K). It is found that these crystallographic phase compositions play a crucial role in controlling its magnetic and transport properties. Temperature-dependent dc magnetization data show a sharp drop at the onset of mixed phase (Cmmm + P21am) at 280 K followed by a broad hump at ∼ 220 K where mixed phase to P21am transition occurs, thus indicating a correlation between the structural and magnetic properties. The dc magnetization in the mixed phase region is calculated by considering a superposition of the magnetic moments of Cmmm and P21am phases weighted by the fraction of each phase, which exactly follows the experimental magnetization data. Temperature variation of resistivity data shows a jump at ∼260 K, a temperature corresponding to 50–50% phase composition of Cmmm and P21am phases. The compound shows insulating behavior over a whole temperature range as confirmed from the resistivity data. Further, application of magnetic field causes a shift of magnetic and transport transition temperatures which may be due to the magnetic field induced structural transition in the system.

Orbital Magneto-Nonlinear Anomalous Hall Effect in Kagome Magnet Fe_{3}Sn_{2}.

It has been theoretically predicted that perturbation of the Berry curvature by electromagnetic fields gives rise to intrinsic nonlinear anomalous Hall effects that are independent of scattering. Two types of nonlinear anomalous Hall effects are expected. The electric nonlinear Hall effect has recently begun to receive attention, while very few studies are concerned with the magneto-nonlinear Hall effect. Here, we combine experiment and first-principles calculations to show that the kagome ferromagnet Fe_{3}Sn_{2} displays such a magneto-nonlinear Hall effect. By systematic field angular and temperature-dependent transport measurements, we unambiguously identify a large anomalous Hall current that is linear in both applied in-plane electric and magnetic fields, utilizing a unique in-plane configuration. We clarify its dominant orbital origin and connect it to the magneto-nonlinear Hall effect. The effect is governed by the intrinsic quantum geometric properties of Bloch electrons. Our results demonstrate the significance of the quantum geometry of electron wave functions from the orbital degree of freedom and open up a new direction in Hall transport effects.

Structural and physical properties of Ni 1−x V x alloys around and away from quantum critical point

We investigate the room temperature structure (global and local), temperature dependent magnetic and transport behaviour of Ni 1−x V x ( 0⩽x⩽0.13 ) alloys. Our Energy Dispersive Analysis of x-rays results show that the prepared compositions are stoichiometric. With increase in V doping, the compounds exhibit a quantum phase transition around x c = 0.12, where the ferromagnetic phase is suppressed. Our results show that all the compounds stabilize in face centred cubic structure at RT and the lattice parameter shows unusual behaviour close to x c . The magnetic and heat capacity studies show signature of Griffiths phase on either side of x c . From 25 K to the lowest collected temperature, we observe a linear T dependence of resistivity at x = 0.1 and around x c , which is separated by a Fermi-liquid region around x = 0.106. This suggests that the origin of the transport behaviour is different around the quantum critical point and away from it. Our Ni K-edge x-ray Absorption Spectroscopy results show that there is a significant reduction in the first coordination number around Ni central atom on doping. Further, with doping, there is distortion in the first coordination shell around Ni. This suggests, with V doping, the local structure around Ni is different from the global structure as obtained from the x-ray Diffraction results. Interestingly, with doping, we observe a direct connection between the extent of distortion at RT and the magnetic disorder obtained at 2 K. We believe our results will motivate the scientific community to further study the interplay between the structural disorder and quantum fluctuations with temperature at the local level.

Alloying effect of rare-earth tritellurides on the charge density wave and magnetic properties

Among many van der Waals materials rare-earth tritellurides (RTe3) allow studying several phenomena like magnetic, superconducting, and charge density wave (CDW). These studies show the effect of cationic alloying of antiferromagnetic RTe3 for fully tunable near room-temperature CDW properties. DyxGd1−xTe3 and DyxTb1−xTe3 alloys were synthesized through a chemical vapor transport technique, and the rare-earth element composition was controlled by changing the ratio of rare-earth metal reagents. The results show that the lattice parameters can be continuously tuned with the composition of the rare-earth cations leading to the variation of the internal chemical pressure. Temperature-dependent Raman spectroscopy and electric transport measurement show that the CDW transition temperature (TCDW) of RTe3 alloys varies with lattice parameters/chemical pressure spanning across 300–380 K. Additional magnetism studies offer the first insights into the magnetic ordering in RTe3 alloys. The emergence of multiple magnetic transitions implies complex magnetic interactions that arise from interactions between different rare-earth elements. Overall findings introduce ways to control the CDW behavior and provide valuable insights into the magnetic ordering in RTe3 alloys, contributing to further investigation and a better understanding of their properties.

Metrology for reliable fuel consumption measurements in the maritime sector

Reliable fuel consumption measurements play an essential role in the maritime sector whether for emission determinations or the use of novel fuels. A verification of the performance of flow meters used for fuel consumption determination under realistic conditions is thus of interest. Apart from the influence of the pressure- and temperature-dependent transport properties of the fuels, a characterization of the measurement performance under dynamic fuel consumption is of relevance. Traceable metrological infrastructure and procedures, which will enable an evaluation of the measurement performance of flow meters in this regard, are being developed in the scope of the EMPIR project “Safest” (20IND13). A consumption profile of a ferry navigating in a harbour serves as basis. In addition to the measurement accuracy under dynamic conditions, first investigations of the performance of flow meters are carried out in terms of fluid temperature and fuel transport properties for the example of spindle screw meters.

First-principles investigations on the structural, optoelectronic, mechanical and transport properties of new stable lead-free double perovskites Cs2BB′I6 (B = Ag/Rb, B′ = Bi/Ga) halides

Lead-free perovskite halides offer a promising alternative due to the successful replacement of lead-based perovskites in various applications. Density functional theory simulations have been utilized to ascertain the physical attributes of lead-free Cs2BB′I6 (B = Ag/Rb, B′=Bi/Ga) double perovskites in this work. The well-organized modified Becke-Johnson (mBJ) is employed to define exchange–correlation potential. The calculated negative formation energy values, structural optimization, along with evaluation of the tolerance factor support the stability of compounds. To judge the structural stability, several mechanical parameters are determined. For Cs2AgBiI6, a bandgap of 1.46 eV and 1.85 eV for Cs2RbGaI6 are achieved. The total and individual electronic states’ influence is also calculated. The optical absorption is prominent in the visible and UV regions for both perovskites depicting their potential use in optoelectronics. We also have an insight into the temperature-dependent transport characteristics of Cs2AgBiI6 and Cs2RbGaI6. The crucial ZT factor exhibits values of 0.78 and 0.75 for Cs2AgBiI6 and Cs2RbGaI6 at 800 K. The high Seebeck, ZT and electrical conductivity values also stand in the favor of their potential use in green technology.

On the grain boundary charge transport in p-type polycrystalline nanoribbon transistors.

Grain boundaries (GB) profoundly influence charge transport, and their localized potential barrier with a high density of defect states plays a crucial role in polycrystalline materials. There are a couple of models to estimate the density of states (DoS) of nanostructured materials in field-effect transistors (FETs) that probe interface traps between the semiconductor and dielectric but not at the grain boundaries. Here, we report on utilizing Levinson's and Seto's models of grain boundary transport and correlate them with the temperature-dependent hopping transport in copper iodide (CuI) polycrystalline nanoribbon (PNR) FETs. Experimentally, PNRs are obtained by e-beam lithography and thermal evaporation of CuI. To investigate the impact of GB, the devices are fabricated with different channel aspect ratios by varying widths (80, 260, and 570 nm) and lengths (20 to 90 μm). Owing to the high hole concentration, PNR FETs operate in depletion mode at 300 K. At various low temperatures (80-300 K), the figures-of-merits of FETs are estimated to understand device performance. We determine GB barrier heights, activation energy, and density of GB trap states and find equivalence between the two models. Furthermore, we calculate temperature-dependent hopping and trap-limited transport parameters to obtain DoS at the Fermi energy, trapped and free charge carrier density, localization length, hopping distance, hopping energy, etc. at various channel lengths. Based on this quantitative analysis, we propose a channel length-dependent GB barrier height variation due to the in-plane electric field and elucidate CuI energy band levels.

Temperature-dependent dielectric relaxations and transport properties of Sm3+ & La3+ doped Bi-oxide nanoparticles.

The suggested novel rare-earth doped bismuth calcium cobaltites Bi2Ca2-2xSmxLaxCoO6 (x = 0.000-0.075) were synthesized by a co-precipitation route. XRD was utilized for structural information. SEM and EDX were used for microstructural and elemental analysis. AC conductivities (σac) were measured at temperatures of 100-500 °C. The σac of all synthesized samples increased as the temperature increased, indicating that they are semi-conductive. The conduction process of all the synthesized samples was examined using Jonscher's power law. The spreading factor and relaxation time of all the synthesized samples were studied using nonlinear Debye fitting. At a high temperature of 500 °C, the dielectric curve showed anomalous behaviour that was related to the negative values of the dielectric constant at 500 kHz-3 MHz. The studied (Sm-La)-doped samples showed higher values of the dielectric constant (1.03 × 108). The Cole-Cole plot used in the impedance investigation reveals that as the temperature rises, the diameter of the arcs decreases, implying a drop in impedance and rises in conductivity. The growing trend of DC electrical conductivity with temperature depicts the semi-conductive nature of the synthesized materials.