Polaron Hopping Energy Research Articles

Effect of Zn doping on optical properties and electrical conductivity-mechanism of Sb-Ge-Se chalcogenide glassy systems

The present communication inspects the impact of zinc doping on the s optical, and electrical characteristics of bulk glassy samples made up of xZn-(0.1-x)Sb-0.2Ge-0.7Se (x = 0.01, 0.02, 0.03, 0.05). The X-ray diffraction patterns confirm that the samples are amorphous. In addition to various optical constants, the linear refractive index, and skin depth have been determined. The decreases in band gap energy values from 1.62 eV to 1.56 eV may be attributed to the rise in Unbach energy values from 0.15 eV to 0.32 eV. The obtained value of refractive indices also increases from 2.91 to 2.95 with the rising Zn content. By using the paradigm of Jonscher's universal power law and the Almond-West formalism, the underlying mechanisms of AC conductivity have been investigated. The AC conductivity increases with temperature and displays semiconducting characteristics. As the power-law exponent (s) reduces with increasing temperature, the correlated barrier hopping model is used to explain the AC conduction mechanism. DC conduction mechanism is described by Mott's and Greaves's variable range hopping model. The anticipated values of tiny polaron hopping energy (Whop) and hopping distance (Rhop) shed light on the increasing trend of DC conductivity with increased Zn concentration.

Engineering lattice oxygen defects and polaronic transport in vanadium pentoxide via isovalent phosphorus doping

Oxygen vacancies are equilibrium defects in the vanadium pentoxide system that give rise to polaronic hopping transport via V4+ charge compensating defect. In this paper, we report the tunability of polaron formation, the hopping process, and their magnetic signature by substitution of isovalent (5+) phosphorus ions in the V5+ site. The powder x-ray diffraction data show a monotonous shift in lattice parameters with progressive P-doping, confirming the presence of a substitutional dopant. The polaron hopping energy reduced from 0.307 to 0.290 eV depicting a lower defect concentration in P-doping in V2O5. At low temperatures, it is found to obey the Efros–Shklovskii variable range hopping mechanism. The estimated hopping range increased to 1.6 ± 0.1 nm in doped V2O5 in contrast to ∼1.3 nm in the undoped one. The electron spin resonance measurements show a diminishing broad ferromagnetic signal and rising paramagnetic signal (g = 1.97) with progressive P-doping depicting predominant isolated electronic spins in the doped sample. The same is corroborated in room temperature M–H with a distinct hysteresis that diminishes with P-doping and a rise of a paramagnetic slope. Moreover, the reduced oxygen defects and lower V4+ relative occupancy together with fermi level fall toward intrinsic position are substantiated by photoelectron emission studies.

Charge transport mechanism, dielectric relaxations and relaxor ferroelectric properties of Sm2MgMnO6 double perovskite

This study investigates the charge transport mechanism, dielectric relaxation and relaxor ferroelectric properties of Sm2MgMnO6 which exhibits monoclinic crystal structure with space group P21/n. The charge carriers conduction mechanism in the temperature range 150 K–239 K and 244 K–304 K are correlated barrier hopping (CBH) and overlapping large polaron tunneling (OLPT), respectively. The maximum barrier height associated to CBH model is 0.26 meV. The dc activation energy associated to CBH and OLPT model are 0.11 eV and 0.91 eV respectively. The polaron hopping energy associated to Mott's variable range hopping model is 0.11 eV at 244 K. The value of tanδ varies from 0.004 to 3.329 in temperature range 151.07 K–306.87 K and frequency range 1 kHz–800 kHz. The temperature variation of ε′, ε″ and tanδ shows a single relaxation which follows Vogel–Fulcher (VF) law. The VF law and the shape of P–E hysteresis loop confirms the relaxor ferroelectric nature of the studied material. The saturated polarization (PMax), remnant polarization (Pr) and coercive field (Ec) depend on both the electric field (E0) and frequency (f). The loop area (A′) and dielectric breakdown field (EBD) depend on E0 as A′∝E02 and EBD∝E0, respectively. The PMax, Pr and Ec depend on f as PMax∝f−0.13, Pr∝f−0.48 and Ec∝f−0.48, respectively. The energy storage efficiency (η) varies with frequency as: η%=20.44f0.21.

Hydrogenation Influences on the Structural, Optical, and Insulating Properties of (Bi+Cr) Codoped Anatase TiO2 Nanoparticles

AbstractThis paper presents the investigation results for pure and (Bi/Cr) codoped TiO2 nanoparticles (NPs) synthesized by using a hydrothermal precipitation technique. The synthesized NPs are characterized by using X‐ray diffraction (XRD) and optical spectroscopy. The XRD patterns show a single anatase phase of an average nano‐crystallite size ≈6–9 nm. In addition, it was noticed that the hydrogenation of the NPs of the ceramic samples reduced the crystallite sizes due to the creation of O‐vacancies and microstrain. The optical absorption spectra show redshift of the bandgap. Moreover, an absorption hump in the high‐wavelength range of 630–800 nm is observed and attributed to the d‐d transitions in Cr3+ ions. Then, it is studied hydrogenation's significant effect on the absorption spectrum for λ > 370 nm, which attributes to the creation of a high density of point defects and structural microstrain that enhances the redshift of bandgap. The permittivity at 1 kHz of the prepared (Bi/Cr):TiO2 ceramic is found to be of large value (≈670), which is enhanced up to ≈103 by the hydrogenation. It is concluded that the hydrogenation in the present investigation supports the effects of the Bi3+ ions on the dielectric properties rather than that of Cr3+ ions, which mostly substitute the Ti ions (TiCr) due to the similarity of Ti3+ and Cr3+ ions. Thus, the measured dielectric constant of the hydrogenated sample [(Bi/Cr):TiO2‐H] is almost equal to that value of the host TiO2 doped with only Bi ions (Bi:TiO2). Moreover, it is concluded that the hydrogenation has a negligible effect on the effective polaron hopping energy, but increases the sample maximum barrier height (WM) by ≈55% causing an increase in the measured values of the permittivity.

Unconventional Substitution for BiVO4 to Enhance Photoelectrocatalytic Performance by Accelerating Polaron Hopping.

Bismuth vanadate (BiVO4) as a fascinating semiconductor for photoelectrocatalytic (PEC) water oxidation with suitable band gap (Eg) has been limited by the issue of poor separation and transportation of charge carriers. Herein, we propose an unconventional substitution of V5+ sites by Ti4+ in BiVO4 (Ti:BiVO4) for the similar ionic radii and accelerated polaron hopping. Ti:BiVO4 increased the photocurrent density 1.90 times up to 2.51 mA cm-2 at 1.23 V vs RHE and increased the charge carrier density 1.81 times to 5.86 × 1018 cm-3. Compared with bare BiVO4, Ti:BiVO4 improves the bulk separation efficiency to 88.3% at 1.23 V vs RHE. The DFT calculations have illustrated that Ti-doping modification could decrease the polaron hopping energy barrier, narrow the Eg, and decrease the overpotential of the oxygen evolution reaction (OER) concurrently. With further spin-coated FeOOH cocatalyst, the photoanode has a photocurrent density of 3.99 mA cm-2 at 1.23 V vs RHE. The excellent PEC performance of FeOOH/Ti:BiVO4 is attributed to the synergistic effect of the FeOOH layer and Ti doping, which could promote charge carrier separation and transfer by expediting polaron migration.

Interpretation of dielectric behavior and polaron hopping in lead-free antimony-based double perovskite.

Lately, double perovskite materials have become well-known in the commercialization area owing to their potential use in optoelectronic applications. Here, double perovskite Cs2AgSbCl6 single crystals (SCs) with cubic crystal structure and Fm3̄m space group were successfully synthesized via the slow cooling technique. This paper investigates the dielectric relaxation and charge transfer mechanism within Cs2AgSbCl6 using electrochemical impedance spectroscopy (EIS) in the 273-393 K temperature range under light. The dielectric response in Cs2AgSbCl6 has been explained by the space charge polarization and the ionic motion. The ε'(ω) study at different temperatures shows a remarkable frequency transition at which dε'/dT changes from a positive to a negative coefficient. Based on Stevels approach, the density of traps diminishes with the temperature increase, which improved conduction. However, this approach proves the polaronic conduction in Cs2AgSbCl6. 0.42 and 0.21 eV are the binding (Ep) and polaron hopping (WH) energy values, respectively. Contrary to free-charge carrier motion, polaron hopping was proposed as the principal conduction process since the ambient-temperature thermal energy was lower than Ep. Moreover, the analysis of M''(ω) and -Z''(ω) as a function of temperature shows the thermally-activated relaxation from the non-Debye to Debye type model in Cs2AgSbCl6. This scientific research offers an essential understanding of the dielectric relaxation behavior, which is required for improving dielectric switches. Also, this paper provides a deep insight into the conduction mechanism within double perovskite materials.

Improved self-consistency and oxygen reduction activity of CaFe2O4 for protonic ceramic fuel cell by porous NiO-foam support

Considerable efforts have been made in the past several decades to search the cheap metal-oxides electrocatalysts with superior electrical properties including ionic and electronic for electrochemical energy devices. In this work, simple orthorhombic structured CaFe2O4 nano-particles were embedded on a porous Ni-foam by spin coating method for the application of air electrode for protonic ceramic fuel cells (PCFCs), which provides high oxygen reduction activity than using traditional processes. CaFe2O4 coated Ni-foam cathode shows very small area-specific-resistance (ASR) of ≤0.2 Ωcm2and fuel cell device assembled by CaFe2O4 coated Ni-foam cathode over ceramic BaZr0.8Y0.2O3 (BZY) electrolyte exhibited a peak power density (PPD) of 612 mW cm−2 when operating at 500°C. The porous Ni-foam support superficially improves the electrical and gas diffusion capabilities along with ionic transport properties of CaFe2O4 by narrowing the bandgap to effectively facilitating small polaron hopping energy of valence electrons. However, various spectroscopic measurements such as electrochemical impedance, X-ray photoelectron, thermogravimetric analysis, and Density Functional Theory (DFT) calculations were employed to understand the improved ORR electrocatalyst function of CaFe2O4 with Ni-foam support as three-dimensional heterostructure composite cathode. The results can further help to develop functional cobalt-free electro-catalysts for low temperature-PCFCs and other related applications.

Mechanism of hopping conduction in Be\u2013Fe\u2013Al\u2013Te\u2013O semiconducting glasses and glass\u2013ceramics

Electrical properties of beryllium-alumino-tellurite glasses and glass–ceramics doped with iron ions were studied using impedance spectroscopy. The conductivity was measured over a wide frequency range from 10 mHz to 1 MHz and the temperature range from 213 to 473 K. The D.C. conductivity values showed a correlation with the Fe-ion concentration and ratio of iron ions on different valence states in the samples. On the basis of Jonscher universal dielectric response the temperature dependence of conductivity parameters were determined and compared to theoretical models collected by Elliott. In glasses, the conduction process was found to be due to the overlap polaron tunneling while in glass–ceramics the quantum mechanical tunneling between semiconducting crystallites of iron oxides is proposed. The D.C. conductivity was found not to follow Arrhenius relation. The Schnakenberg model was used to analyze the conductivity behavior and the polaron hopping energy and disorder energy were estimated. Additionally, the correlation between alumina dissolution and basicity of the melts was observed.

Temperature and frequency dependent electrical conductivity and dielectric relaxation of mixed transition metal doped bismuth-phosphate semiconducting glassy systems

Two ternary and three quaternary glass nanocomposites with a general chemical formula 0.45Bi2O3 - 0.15P2O5 - (0.4-x) V2O5- xMoO3 (x = 0, 0.1, 0.2, 0.3, and 0.4) are synthesized through melt quenching method. Few nanophases Bi5PO10, V2O5, BiVO4, Bi12P2O23, Bi(PO3)3, Bi13Mo4VO34, Mo4O11, MoOPO4, Bi4MoO9, and BiP5O14 are superimposed within glass matrices acknowledged from XRD patterns. The Almond-West formalism is used to study the electrical conductivity of mixed transition metal-doped bismuth-phosphate glass nanocomposites. The semiconducting non-linear characteristics are established from the dc conductivity curve and the different values of activation energies in high and low-temperature regions. The dc conductivity of each glass nanocomposite has been explained by the Mott and Greaves's variable range hopping model. The reducing nature dc conductivity with the rise of MoO3 content is elucidated from the estimated values of small polaron hopping energy (Whop) and hopping distance (Rhop). Modified correlated barrier hopping model flawlessly defines the mechanism of ac conductivity as the value of power-law exponent reduces with temperature. The effect of temperature and frequency on the dielectric properties of the samples has been intensely investigated. Non-Debye type of relaxation process of dynamic conductivity is predicted and the relaxation time exhibits Arrhenius characteristics.

Evaluation of Polaron Transport in Solids from First‐principles

AbstractPolarons are formed in polar or ionic solids, either molecular or crystalline, due to local distortions of the lattice induced by charge carriers. Polaron hopping is the primary mechanism of charge transport in these materials, such as functional ceramic compounds, with applications in photovoltaics, thermoelectrics, two‐dimensional electron gas transistors, magnetic sensors, spin valve devices, and memories. Understanding the fundamental physics of polaron hopping is, therefore, of prime technological importance. This article provides a brief physical background of polarons and their hopping mechanism, focusing on first‐principles calculations of polaron properties. Herein, we review recent selected studies applying the density functional theory (DFT), and describe the merits and challenges in applying DFT for such calculations, highlighting the need to address both electronic and vibrational aspects. The vibrational component of the polaron is evaluated based on structural and total energy calculations, whereas the electronic component is derived from both total energy and electron density calculations. To address the most compelling challenge of calculating polaron properties using DFT, which is the issue of electron localization, we propose to employ calculations of selected vibrational properties, such as the sound velocity, shear modulus, and Grüneisen parameter, to represent the polaron hopping energy; all of which originate from the stiffness of inter‐atomic bonds. Such methodology is expected to be more straightforward than the existing ones, however demands standardization.

Structural, Optical and Electrical Properties of Eu-doped CuS Nanoparticles Synthesized Through the Aqueous Route

Eu-doped CuS nanoparticles stabilized by L-cysteine were synthesized by a low-temperature soft aqueous route. X-Ray Diffraction (XRD) patterns of the synthesized products reveal the formation of the hexagonal structure of covellite CuS. Scanning Electron Microscopy (SEM) images depict that the as-prepared nanoparticles exhibit relatively sphere like shaped morphology. Transmission Electron Microscopy (TEM) analyses show that the average size of the nanoparticles was found to be reduced with increasing the Eu concentration. UV-Visible optical absorption measurements reveal that the optical band gap is increased with increasing the Eu concentration, showing the presence of a blue shift due to quantum size effects. Impedance spectra were well modelled by introducing an electrical equivalent circuit. The electrical conductivity was found to be increased with increasing the Eu concentration. The temperature dependence of the DC conductivity confirmed the semiconducting nature of the as-prepared nanoparticles and was found to obey the Arrhenius law with two activation energies. The frequency dependence of the AC conductivity has been analyzed by Jonscher’s power law suggesting the non-overlapping small polaron tunneling (NSPT) type of conduction. The polaron hopping energy was found to be increased with increasing the Eu concentration. The dielectric constant of the as-synthesized nanoparticles was found to be decreased with the increase in Eu concentration. The dielectric loss tangent was found to be decreased and then increased at higher frequencies with increasing the Eu concentration.

High magnetoresistance in layered PrBaCo2O5+δ double perovskite

The magnetoresistance (MR) and magnetism of PrBaCo2O5+δ (PBCO) with different oxygen content are systematically investigated. It is found that with the temperature lowing, the MR effect changes from positive to negative for the sample annealed in Ar with low oxygen content, and is negative and increases in magnitude for the as-prepared and O2-annealed samples (AP-PBCO, O2–PBCO). A higher MR effect with ∼38% at around 70 K and 9 T for AP-PBCO is obtained. Besides, an abnormal decrease in magnitude for MR is observed for AP-PBCO and O2–PBCO. It is suggested that the spin disorder related polaron hopping energy WP is crucial for the MR effect in PBCO, besides the competition of AFM and FM interactions, which rests with the crystal structure dominated by the content and order of the oxygen vacancies. The observed abnormal MR can be attributed to the reduced polaron hopping energy WP related to the AFM order. The results not only experimentally confirm that the MR effect can be easily adjusted by the oxygen vacancies but also open up a new way for developing the high MR in layered double perovskites for application.

Synthesis, optical and photo-electrochemical properties of NiBi2O4 and its photocatalytic activity under solar light irradiation

NiBi2O4 was synthesized by sol gel method using citric acid as a complexing reagent. The formed gel was dried and calcined for 9 h at three temperature steps (400, 600, 800 °C) to get a single phase with the spinel structure. The as-prepared NiBi2O4 was characterized by X-ray diffraction, FT-IR spectroscopy, and UV–vis diffuse reflectance. The optical band gap (Eg =1.76 eV) was obtained from optical absorption spectroscopy. The thermal variation electrical conductivity, measured in the range (300–473 K), is characteristic of semiconductor, with a conduction mechanism by low polaron hopping and activation energy of 0.2 eV. As application, the methylene blue (MB) was successfully oxidized upon solar light. A removal conversion of 40 % was obtained after 2 h at room temperature. The total photo-oxidation of MB (30 mg/L) was obtained on the new hetero-junction NiBi2O4/ZnO at natural pH in less than 2 h. A photocatalytic degradation mechanism occurred through (electron-hole) pairs generation and the redox reactions taking place on the NiBi2O4/ZnO surface of MB are proposed to explain the high activity under solar light irradiation. The degradation kinetics followed a first order with an apparent constant rate of 0.15 h-1.

Temperature dependent dielectric properties and ac conductivity of GdFe1−xMnxO3 (0 ≤ x ≤ 0.3) perovskites

We have synthesized the nano-crystalline samples of GdFe1−xMnxO3(0 ≤ x ≤ 0.3) via solid state reaction route and studied their dielectric properties and ac conductivity in detail. X-ray diffraction patterns show monophase structure of the samples in orthorhombic crystal symmetry (space group Pbnm). The enhancement in dielectric constant is registered on Mn doping at room temperature as well as with the rise in temperature at a constant frequency. The fitting of Cole–Cole plots indicate the non-Debye kind relaxation mechanisms in the samples. The real (Z′) and imaginary (Z″) components of impedance reduce with the increase in frequency and Mn ions in GdFeO3 lattice. Nyquist plots are fitted to a single semicircle that hints towards the single relaxation process. The ac conductivity (σac) is also increased with the frequency and follow the power law,σac(ω) = Aωs wherein the exponent ‘s’ reduces with frequency. We have estimated the activation energies with the help of ln(σ) versus 1/T plots that remain almost constant below 350 K and show variation with the Mn doping in GdFeO3 perovskite at temperatures 620–673 K. The polaron hopping energy (WM) in the framework of the correlated barrier hopping (CBH) and non-overlapping small polaron tunneling (NSPT) models have been calculated and its variation with temperature signifies thermally activated conduction mechanism in the studied materials.

Disentangling small-polaron and Anderson-localization effects in ceria: Combined experimental and first-principles study

By comparison of the electrical conductivity of ceria doped with penta- and hexavalent ions, we separate the total electron localization energy into the two contributions originating from the small polaron effects and the Coulomb interaction with the donor ions. The upper bound of the itinerant small polaron hopping energy is estimated at $66\ifmmode\pm\else\textpm\fi{}20$ meV. The binding energy of the ${\mathrm{Ce}}^{3+}--{M}^{5+/6+}$ defect complex increases from 121 meV for $M={\mathrm{Nb}}^{5+}/{\mathrm{Ta}}^{5+}$ to 243 meV for $M={\mathrm{W}}^{6+}/{\mathrm{U}}^{6+}$. The first-principles simulations are in qualitative agreement with the experimental findings. At low temperatures the $f$ electrons bound to the donor defects show dielectric relaxation with the lowest activation energy of 2.7 and 17 meV for Nb(Ta)- and W-doped ceria, respectively. Remarkably, these energies are significantly smaller than the hopping energy of the itinerant small polarons. While both the electron-lattice and the electron-defect interactions cause the $f$ electron localization in real-case ceria, the latter effects seem to be the dominant.

Thermal, Structural, AC Conductivity, and Dielectric Properties of Ethyl-2-amino-6-ethyl-5-oxo-4-(3-phenoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carboxylate Thin Films

Thermal, structural, alternating-current (AC) conductivity (σAC), and dielectric properties of ethyl-2-amino-6-ethyl-5-oxo-4-(3-phenoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carboxylate (HPQC) thin films have been studied. Thermogravimetry analysis and differential scanning calorimetry confirmed the thermal stability of HPQC over a wide temperature range. Fourier-transform infrared spectroscopy and x-ray diffraction analysis were carried out on HPQC in powder form and as-deposited thin film. The crystal system and space group type were determined for HPQC in powder form. The AC conductivity and dielectric properties were determined in the frequency range from 0.5 kHz to 5 MHz and temperature range from 296 K to 443 K. The AC electrical conduction of HPQC thin film was found to be governed by the small-polaron tunneling mechanism. The polaron hopping energy (WH), tunneling distance (R), and density of states (N) near the Fermi level were determined as functions of temperature and frequency. The dielectric properties of HPQC thin film were studied by analysis of Nyquist diagrams, the dissipation factor (tan δ), and real (e′) and imaginary (e″) parts of the dielectric constant.

Low temperature analysis of the electrical conduction with the NSPT mechanism in p-CuIn3Se5

The AC electrical conductivity σac(ω,T) in polycrystalline semiconductor p-CuIn3Se5 has been studied by means of impedance spectroscopy measurements, in the temperature and frequency ranges between 173 and 253 K and 600 KHz-1MHz, respectively. The frequency and temperature dependence of the power law exponent s and σac are interpreted by the Non-overlapping Small-Polaron Tunneling (NSPT) model. Some important parameters such as the polaron hopping energy Wh, the hopping tunneling distance Rω and the density of states at the Fermi level N(EF) are estimated and their temperature and frequency dependence discussed. Experimental data of the real (Z′) and imaginary (Z″) impedance of the complex impedance Z∗ obtained from Nyquist diagrams shows the contribution of the grain and the grain boundary. This allows to choose an appropriate equivalent circuit for this material in the considered temperature and frequency ranges.

Effect of Deposition Time on Polaron Hopping Conduction Parameters in Carbon Films Embedded by Nickel Nanoparticles

In this work, the electric properties of carbon films embedded by nickel nanoparticles deposited at different deposition times 50-600 sec were investigated. It can be seen that the deposition time affects on nanoparticle sizes and thicknesses of films. A detailed analysis in terms of phonon-assisted small polaron hopping model is used to correlate electrical transport properties of films in temperature range 150-300 K. With increasing deposition time from 50 to 180 sec the polaron radius (rp) decrease and then from 180 to 600 sec it increased. The polaron radius (rp) of films deposited at 180 sec has minimum value of 8.14 × 10−8cm. The polaron hopping energy (WH) of films deposited at 180 sec has minimum value 0.028 eV. With increasing deposition time from 50 to 180 sec the density of states N (EF) at the Fermi level increase and then from 180 to 600 sec it decreased. The density of states N (EF) at the Fermi level of films deposited at 180 sec has maximum value of 6.09 × 1020 eV−1cm−3.

Power spectral densities and polaron hopping conduction parameters in carbon films embedded by nickel nanoparticles

In this work, the fractal dimensions and electric properties of carbon films embedded by nickel nanoparticles annealed at different temperature 300, 500 and 800°C were investigated. A detailed analysis in terms of small polaron hoping (SPH) parameters is used to correlate electrical transport properties with annealing temperature in the range 150–300K. It can be seen that with increasing annealing temperature up to 500°C the polaron radius (rp) decrease and has a minimum value 4.58×10−8cm then from 500°C to 800°C it increased to 6.13×10−8cm. The polaron hopping energy (WH) at 500°C has minimum value 0.017eV while the density of states N(EF) at the Fermi level has maximum value 5.43×1021eV−1cm−3. It can be seen that polaron hopping energy, density of state at Fermi energy and carrier mobility of films correlate with fractal dimensions of films which obtained from the power spectral densities (PSDs) analyses. It can be seen that there are a fluctuation in the polaron mass (mp) and at 500°C which correspond to maximum value of fractal dimension, has minimum value. With increasing fractal dimensions, carrier mobility of films decreases and have minimum value 1.2×10−10s−1V−1cm2.

Effect of Fe doping on structural, magnetic, and electrical properties of non-magnetic and magnetic rare earth-based perovskite chromites La0.5Nd0.5Cr1-x Fe x O3 (0 ≤ x ≤ 1)

The structural, magnetic, and electrical properties of new series La0.5Nd0.5Cr1-x Fe x O3 (x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) have been reported. All the phases crystallize in the orthorhombic symmetry with Pbnm space group. The unit cell volume of La0.5Nd0.5Cr1-x Fe x O3 increases monotonically with increasing Fe doping. Magnetization studies showed that all our investigated phases (except x = 0.8 and 1.0) exhibit a paramagnetic–anti-ferromagnetic transition at low temperature. The variation in Neel temperature (T N) with increasing x can be explained in terms of magnetic interactions due to Fe doping. Irreversibility between the zero-field-cooled (ZFC) and field-cooled (FC) magnetization is clearly seen close to T N. All the phases show that insulating behavior and the transport properties are dominated by the polaron hopping mechanism with increase in polaron hopping energy with Fe content.