Applications In Electronic Devices Research Articles

A DFT study of the effect of hydrostatic pressure on the structure and electronic properties of sarcosine crystal

ContextWe perform density functional theory calculations to study the dependence of the structural and electronic properties of the amino acid sarcosine crystal structure on hydrostatic pressure application. The results are analyzed and compared with the available experimental data. Our findings indicate that the crystal structure and properties of sarcosine calculated using the Grimme dispersion-corrected PBE functional (PBE-D3) best agree with the available experimental results under hydrostatic pressure of up to 3.7 GPa. Critical structural rearrangements, such as unit cell compression, head-to-tail compression, and molecular rotations, are investigated and elucidated in the context of experimental findings. Band gap energy tuning and density of state shifts indicative of band dispersion are presented concerning the structural changes arising from the elevated pressure. The calculated properties indicate that sarcosine holds great promise for application in electronic devices that involve pressure-induced structural changes.MethodsThree widely used generalized gradient approximation functionals—PBE, PBEsol, and revPBE—are employed with Grimme’s D3 dispersion correction. The non-local van der Waals density functional vdW-DF is also evaluated. The calculations are performed using the projector-augmented wave method in the Quantum Espresso software suite. The geometry optimization results are visualized using VMD. The Multiwfn and NCIPlot programs are used for wavefunction and intermolecular interaction analyses.

Intertwined Flexoelectricity and Stacking Ferroelectricity in Marginally Twisted hBN Moiré Superlattice.

Moiré superlattices in twisted van der Waals homo/heterostructures present a fascinating interplay between electronic and atomic structures, with potential applications in electronic and optoelectronic devices. Flexoelectricity, an electromechanical coupling between electric polarization and strain gradient, is intrinsic to these superlattices because of the lattice misfit strain at the atomic scale. However, due to its weak magnitude, the effect of flexoelectricity on moiré ferroelectricity has remained underexplored. Here, the role of flexoelectricity in shaping and modulating the moiré ferroelectric patterns in twisted hBN homojunction is unveiled. Enhanced flexoelectric effects induce unique stacking ferroelectric domains with hollow triangular structures. Interlayer bubbles influence domain shape and periodicity through local electric field modulation, and tip-stress enables the reversible manipulation of domain area and polarization direction. These findings highlight the impact of flexoelectric effects on moiré ferroelectricity, offering a new tuning knob for its manipulation.

Spin Crossover OFF/ON Triggered by Ligand Chemical Doping in an Fe(III) Solid Solution†

Comprehensive SummarySpin crossover (SCO), characterized by distinct high‐spin (HS) and low‐spin (LS) states, has potential applications in memory, electronic, and electroluminescent devices. The OFF/ON switching of SCO is crucial for obtaining bistable magnetic properties. However, there are few strategies for achieving this switching. Herein, based on a ligand chemical doping strategy, we report an Fe(III) solid solution that can be prepared using a ligand chemical doping strategy, enabling not only the OFF/ON switching of SCO but also the fine‐tuning of the spin transition temperature (Tc) within a 45 K range near room temperature. The experimental results show that when the polar ligand doping ratio reaches 20%, SCO behavior is triggered, and the crystal phase transforms significantly, becoming loose and flexible. Furthermore, Tc can be continuously regulated as the ligand‐doping ratio increases. Density functional theory (DFT) calculations reveal that solid packing‐induced molecular distortion blocks SCO, whereas loosely flexible packing triggers SCO via fluorinated ligand chemical doping.

Room-Temperature Flexible CNT/Fe2O3 Film Sensor for ppb-Level H2S Detection.

Carbon nanotubes (CNTs) had room temperature response, large surface area, and excellent mechanical properties, making them favorable for the design of flexible, wearable, and portable gas sensors. However, CNTs were lacking in response and selective response to different gases, such as H2S. Here, we demonstrated a flexible H2S ppb-level gas sensor based on a carbon nanotube/amorphous Fe2O3 (CNT/Fe2O3) film at room temperature, which was fabricated via a simple one-step solvent-thermal method. The CNT/Fe2O3 film gas sensor exhibited a high selective response to H2S (with a response of 55.1% to 100 ppb H2S), rapid reversible response at room temperature (with a response time of ∼127 s to 100 ppb H2S), and low limit of detection to about 2 ppb. Additionally, the CNT/Fe2O3 film maintained good sensing performance under various bending conditions and could be further fabricated into the fiber gas sensor device via wet stretching, retaining response at the ppb level (with a response of 18.6% to 100 ppb H2S). This research on a flexible gas sensor device based on the CNT film/fiber opened up new possibilities for wearable portable electronic device applications.

One-pot preparation of strong, tough, frost-resistant and recyclable organohydrogels via Hofmeister effect and its application for electronic devices

Conductive hydrogels have shown a great potential in the field of flexible electronics. However, it is difficult to combine high strength and high toughness in conductive hydrogels prepared by conventional methods, which limits their applications in various fields. In this work, we pioneered a facile and cost-effective strategy to prepare soy protein isolate/poly(vinyl alcohol) (SPI/PVA) conductive hydrogels with high strength, toughness, low-temperature resistance, and recyclability by introducing all the salts into the prescuor solution directly. To solve the problem of unable to directly introducing high concentration Na3Cit into the soy protein isolate/PVA solution, MgCl2 was used to alleviate the strong salting-out effect of Na3Cit. Thus the stable SPI/PVA/EG/MgCl2/Na3Cit complex solution was obtained and the SPI/PVA/EG/MgCl2/Na3Cit (SPEMS) organohydrogel was prepared by the freezing/thawing process. The optimum tensile strength of the SPEMS organohydrogel was 1.1±0.07 MPa, and the elongation at break was 701.3±23.67 %, respectively. Meanwhile, the ionic conductivity of the organohydrogel was as high as 1.7±0.01 S/m. Finally, the EG/H2O binary solvent system endowed the organohydrogel with excellent low-temperature resistance (freezing point of −19.4 °C). The strain sensors assembled with SPEMS organohydrogels were characterized by high sensitivity (GF = 3.2, strain range from 20 %-500 %) and long-term stability. The flexible all-solid-state supercapacitor assembled with SPEMS organohydrogel as the electrolyte and activated carbon as the electrodes has a high area specific capacitance (113.76 mF/cm2) and good cycling stability (capacitance retention of 81.62 % after 1,000 charging and discharging cycles) at room temperature.

Atomic and electronic structures of the [formula omitted]-FeSi2/Si(001) interface

The atomistic interface structure between β-FeSi2 and Si substrate was investigated by cross-sectional scanning transmission electron microscopy and density functional theory calculations (DFT). A high quality single crystalline β-FeSi2 film was epitaxialy grown on Si(001) substrate. We demonstrate that the β-FeSi2(100) plane is bonded to the Si(001) plane with two Si dimers per unit cell. With such interface structure, DFT band calculations reveal that metallic electronic states are localized at the interface. This finding implies the presence of two dimensional electronic states at the interface of β-FeSi2/Si(001), which may have potential applications in silicon-based electronic devices.

Iron phosphides nanoparticles strongly coupled to N-doped carbon for high-efficiency oxygen reduction and evolution

Constructing composite structures is an effective strategy for tailoring the electronic configuration and balances the adsorption/desorption capability of oxygen-containing intermediates for obtaining high-performance bifunctional catalysts. Herein, an in-situ pyrolysis strategy was used to construct Fe2P nanoparticles supported on N-doped carbon (Fe2P/NC) catalyst. The DFT indicated that the catalytic activity of the as-prepared catalyst is significantly increased by the strong electronic interaction between the Fe2P nanoparticles and the nitrogen-doped carbon, which endows the catalyst with fast electron transfer capability and optimizes the free energy between the catalyst and the adsorbed intermediate, as well as the d-band center of the material. The as-synthesized Fe2P/NC has a low potential gap ΔE (ΔE = Ej=10 – E1/2) of ca. 0.75 V, a specific capacity as high as 833 mAh·gZn-1 and cycling stability for 1320 cycles at the current density of 10 mA·cm−2. Such a synthesis strategy provides an effective route to realizing applications for portable electronic Zn-air battery-related devices.

Vertical stacking approach for tailoring electronic and optical properties of ultrathin two-dimensional vdW heterostructures of P-MAB (M=Ti, Zr, Hf; A=S, B=Se)

The vertical staking in the form of hetersotructures, is an effective way to enhance the performance of corresponding isolated monolayers. Strong interactions between Janus monolayers (MAB) and Phosphorus (P) monolayers result in significant improvements in both physical and chemical properties compared to single layer configurations. Using first- principle (hybrid) calculations, we explore electronic structure and optical properties of P-MAB (M = Ti, Zr, Hf; A = S, B=Se) van der Waals heterostructures, for potential applications in electronic and optoelectronic devices. Ab initio molecular dynamic (AIMD) simulations confirm the thermal stability, while phonon spectra confirm the dynamical stabilities of these systems. Our analysis reveals that all configurations maintain semiconducting nature with an indirect bandgap. The type-II band alignment in the P-MAB heterostructures is demonstrated through calculations of the partial density of states (PDOS). Bader charge analysis and planar-averaged charge density differences indicate an electron transfer from the P monolayers to the MAB monolayer. Furthermore, our investigation of the dielectric function ϵ2(ω) shows that the lowest energy shift are primarily influenced by excitonic effects.

Investigation of high-detectivity self-powered photodetectors of Rubrene/Bi2Se3 hybrid Van der Waals heterojunction

This paper investigates the Vander Waals heterostructure of organic rubrene and topological insulator Bi2Se3 with an atomically abrupt interface with exciting applications in electronic and optoelectronic devices. This organic/inorganic heterostructure (OIH) was prepared using a simple two-step physical vapor deposition process; based on this hybrid structure, a self-powered photodetector was then constructed. The Dirac surface state at the heterointerface enhances the splitting and transferring of photo-generated carriers, resulting in improved device characteristics. Under 1064 nm, the prepared photodetectors demonstrated a maximum responsivity (6.37 A/W), a high detectivity (3.42 × 1010 Jones), and ultrafast photoresponse speeds with rise time (1.17 µs) and decay time (1.59 µs), respectively. These promising results suggest that these PDs can be used in various photodetection applications and may lead to developing new devices.

Exploring the Impact of Elevated Pressure on the Structural Dynamics of TlInS2 Crystal (I): A First-Principles Investigation with XRD, Raman, and Hirshfeld Topology

The structural dynamics of Thallium Indium Disulfide (TlInS2) crystal under elevated pressures were comprehensively investigated using a combination of X-ray diffraction (XRD), Raman spectroscopy via first-principles calculations, and Hirshfeld surface (HS) analysis. This study aims to elucidate pressure-induced modifications in the crystal structure and their associated properties of TlInS2 crystal. The findings reveal significant structural transformations as pressure increases, with XRD patterns indicating lattice compression and a critical transition from semiconductor to conductor at pressure P=6.25GPa [42]. The calculations predict a reduction in bond lengths, specifically S1-In1 and S1-Tl2, alongside a corresponding decrease in lattice parameters and unit cell volume. Raman spectroscopy corroborates these changes through shifts in phonon modes. The HS analysis provides further insights into pressure-dependent alterations in intermolecular interactions, revealing changes in voids and surface characteristics. The data gained from TlInS2's structural behavior under pressure, contributing to the optimization of its functional properties for pressure-tunable applications in high-performance electronic and optoelectronic devices.

Structural, electronic and optical properties of Halogen (F and Cl) atoms doped Graphdiyne

Abstract This paper reports the results of a density functional theory investigation of structural, electronic, and optical properties of halogen (fluorine and chlorine) atoms doped graphdiyne. Graphdiyne is doped with fluorine and chlorine with three different doping configurations each where one, two and three atoms of fluorine and chlorine were doped into Graphdiyne at benzene ring and acetylene linkages. The most stable doped structure was determined using the results of formation energy. Monolayers for fluorine and chlorine doped graphdiyne uniformly display metallic characteristics except where two atoms were incorporated shows semiconductor characteristics. PDOS shows that the energy band near the Fermi level is mainly contributed by the C 2p orbitals. Doped configurations shows higher peak intensities and good absorption in the UV, visible light region and IR region. These findings offer a fundamental basis for the understanding and manipulation of electrical and optical properties for doped graphdiyne with halogen atoms atoms and it is suitable for promoting the potential application of graphdiyne based electronic and opto-electronic device applications operating mainly in infrared and ultraviolet range.

An Examination of the Electronic, Optical, and Thermodynamic Properties of Β-Gan

The current work involves the systematic examination of the features of Gallium Nitride (GaN) including the electronic, optical, structural, and thermodynamic features, depending on first principles calculation. This is according to approximations, (LDA), (GGA), and (m-GGA). The bandgap energies of Gallium nitride are (1.85 eV, 1.93 eV, and 2.179 eV), respectively. Furthermore, our study also reveals that GaN has a direct bandgap and is highly stable. Finally, our results indicate that the m-GGA method accurately predicts the bandgap energy of GaN. The m-GGA method outperforms both LDA and GGA methods in accuracy to predict the bandgap energy of GaN, as evidenced by its closest approximation to the experimental value. To determine the orbital nature of the Gallium and Nitrogen atoms, the state density and state partial density of Gallium nitride were simulated. The absorption coefficient of Gallium nitride is computed and analyzed in depth for the optical transitions. The absorption coefficient of Gallium nitride is affected by various factors, including the material's band structure, temperature, doping level, and the energy of the incident photons. In addition to that, the thermodynamic properties that can be calculated like enthalpy, entropy, heat capacity, free energy, and Debye temperature enable us to understand the thermal behavior of the compound better. The heat capacity of α-GaN is detected to be (39.9, 25.5, and 32.4) Jmole-1K-1, and a Debye temperature of 807 K, 1134 K, and 866 K for LDA, GGA, and m-GGA, respectively. This research will offer a detailed interpretation of β-GaN, covering all its basic properties and possible applications in electronic devices and optoelectronic devices. The results of this study are very important and the new technologies that will be developed based on the Cubic phase - GaN research will be very beneficial.

Enhanced Thermoelectric Properties of Stable n-Type Ferrocene Derivatives-Doped Polyethylenimine/Single-Walled Carbon Nanotube Composite Films.

Preparing stable n-type flexible single-walled carbon nanotube (SWCNT)-based thermoelectric films with high thermoelectric (TE) performance is desirable for self-powering wearable electronics but remains a challenge. Here, the interface regulation and thermoelectric enhancement mechanism of ferrocene derivatives on polyethylenimine/single-walled carbon nanotube (PEI/SWCNT) composite films have been explored by doping ferrocene derivatives (f-Fc-OH) into PEI/SWCNT films. The results show that the introduction of f-Fc-OH leads to the formation of "thorn" structures on the surfaces of SWCNT bundles via hydrophilic and hydrophobic interactions, the generated energy-filtering effect improves the thermoelectric properties of the PEI/SWCNT film, and the f-Fc-OH-doped PEI/SWCNT (f-Fc-OH/PEI/SWCNT) achieves the highest room-temperature power factor of 182.22 ± 8.60 μW m-1 K-2 with a Seebeck coefficient of -64.28 ± 0.96 μV K-1 and the corresponding ZT value of 4.69 × 10-3. The Seebeck coefficient retention ratio of the f-Fc-OH/PEI/SWCNT nearly remained 68% after being exposed to air for 3672 h, while the PEI/SWCNT film changed from n-type to p-type after being exposed to air for about 432 h. In addition, the temperature-dependent thermoelectric properties show that the f-Fc-OH/PEI/SWCNT achieves a high power factor of 334.57 μW m-1 K-2 at 353 K. Finally, a flexible TE module consisting of seven pairs of p-n junctions is assembled using the optimum composite film, which produces an open-circuit voltage of 42 mV and a maximum output power of 4.32 μW at a temperature gradient of 60 K. Therefore, this work provides guidance for preparing stable n-type SWCNT-based composite films with enhanced thermoelectric properties, which have potential applications in flexible generators and wearable electronic devices.

Enhancement in Magnetic and Magnetocaloric Properties of CoFe2O4 Nanofibers at Lower Temperatures

AbstractThis research paper investigates new and first insights into the magnetic and magnetocaloric properties of one-dimensional (1D) cobalt ferrite CoFe2O4 (CFO) nanofibers (NFs) fabricated using a sol–gel-based electrospinning technique, focusing in particular on their behavior at low temperatures for specific applications. The microstructural, structural, magnetic, and magnetocaloric properties of the calcined CFO NFs were explored. The microstructure of the NFs, with an average diameter of 210 nm, was examined by scanning and transmission electron microscopy (SEM, TEM). The x-ray diffraction (XRD) of the CFO NFs showed a pure cubic close-packed (ccp) spinel crystalline structure with the Fd$$\overline{3}$$ 3 ¯ m space group. The Raman spectroscopic studies further confirm the cubic inverse spinel phase. The magnetic properties were explored as a function of temperature, ranging from 10 K to 300 K, and ferromagnetic behavior was observed with the highest saturation magnetization of 75.87 emu/g and coercivity of 723 Oe at room temperature. The variation of the magnetic entropy was measured indirectly using the Maxwell approach with an increasing magnetic field. A maximum of $$\left| {\Delta S} \right|$$ Δ S = 1.71 J/K was reached around 32 K. At 180 K, the associated adiabatic temperature change, ΔTmax, was 0.93 K, with a large RCP value of 7.58 J/kg, which is reasonably high for the corresponding nanoparticles (NPs). This work suggests that 1D CFO NFs offer a promising route for the production of nanostructured magnetic materials, potentially impacting various electronic and electromagnetic device applications at low temperatures.

Effects of off-axis angles of 4H-SiC substrates on properties of β-Ga2O3 films grown by low-pressure chemical vapor deposition

In this work, β-Ga2O3 films with (−201) preferred orientation were heteroepitaxially grown on SiC substrates with off-axis angles of 0°, 4° and 8° by low-pressure chemical vapor deposition (LPCVD). It is found that the crystal quality, surface morphology, electrical properties of the β-Ga2O3 films of the film are significantly sensitive to the off-axis angle of SiC substrates. The crystal quality and surface morphology of the film were significantly improved when the 4° off-axis substrate was used, of which the FWHM (Full width at half maximum) was as low as 0.169° and the Ra (Roughness Average) of the smooth surface was 1.98 nm. Due to the improvement of crystal quality, the Hall mobility of the films deposited on 4° off-axis substrates was increased to 50.88 cm2/V·s. The photoluminescence peak intensity of the film increases first and then decreases with the increase of the off-axis angle of the substrate. However, the use of the off-axis substrate has no obvious effect on the oxygen vacancy ratio of the films. The results of this study demonstrate the significance for the preparation of high quality heteroepitaxial β-Ga2O3 films on SiC substrate for the promising applications in power electronic and optoelectronic devices.

Myelin Sheath-Inspired Hydrogel Electrode for Artificial Skin and Physiological Monitoring.

Significant advancements in hydrogel-based epidermal electrodes have been made in recent years. However, inherent limitations, such as adaptability, adhesion, and conductivity, have presented challenges, thereby limiting the sensitivity, signal-to-noise ratio (SNR), and stability of the physiological-electrode interface. In this study, we propose the concept of myelin sheath-inspired hydrogel epidermal electronics by incorporating numerous interpenetrating core-sheath-structured conductive nanofibers within a physically cross-linked polyelectrolyte network. Poly(3,4-ethylenedioxythiophene)-coated sulfonated cellulose nanofibers (PEDOT:SCNFs) are synthesized through a simple solvent-catalyzed sulfonation process, followed by oxidative self-polymerization and ionic liquid (IL) shielding steps, achieving a low electrochemical impedance of 42 Ω. The physical associations within the composite hydrogel network include complexation, electrostatic forces, hydrogen bonding, π-π stacking, hydrophobic interaction, and weak entanglements. These properties confer the hydrogel with high stretchability (770%), superconformability, self-adhesion (28 kPa on pigskin), and self-healing capabilities. By simulating the saltatory propagation effect of the nodes of Ranvier in the nervous system, the biomimetic hydrogel establishes high-fidelity epidermal electronic interfaces, offering benefits such as low interfacial contact impedance, significantly increased SNR (30 dB), as well as large-scale sensor array integration. The advanced biomimetic hydrogel holds tremendous potential for applications in electronic skin (e-skin), human-machine interfaces (HMIs), and healthcare assessment devices.

Ce-doped ZnO nanonails synthesized by a simple thermal evaporation method for photocatalytic degradation

One-dimensional (1D) nanomaterials have garnered significant scientific and technological attention due to their potential applications in electronics devices, gas sensing, energy conversion, and photocatalysis. However, the development of a simple and low-cost technique for 1D nanostructure synthesis remains a challenge. The doping of ZnO nanostructures has proven to be an effective way to improve their internal properties. In this work, one-dimensional ZnO and Ce-doped ZnO nanorods and nanonails were synthesized by a simple thermal evaporation method using different weight ratios of ZnS and CeO2 precursor powders in a catalyst-free process. The effects of cerium doping concentration on the structural, morphological, and optical properties of the as-prepared samples were investigated. XRD analysis confirmed that the crystal structure was converted from the cubic ZnS phase to the hexagonal ZnO phase with increasing annealing temperatures. The UV–Vis spectra showed that the optical absorption edge of Ce-doped ZnO samples was slightly red-shifted. Additionally, the band gap energy decreases with increasing cerium concentration. SEM images showed that the morphology of the structures obtained changed from nanorods to nanonails as the Ce content increased. The incorporation of Ce ions into the ZnO matrix has been successfully confirmed by HRTEM, Raman, and EDX analysis. Photocatalytic activity studies showed that Ce-doped ZnO samples exhibited significantly enhanced photocatalytic performance compared to pure ZnO for the degradation of rhodamine B under UV radiation. These results may suggest the use of heterogeneous photocatalysis as an efficient, cheap, and environment-friendly alternative for the removal of pollutants from water and the use of Ce-doped ZnO as a promising candidate.

Superior Piezo-/Ferro-Electricity in Antiferroelectric AgxNbO3-δ Thin Films by Nanopillar Local Structure Design.

Antiferroelectrics are fundamental mother compounds critical in developing innovative lead-free piezoelectrics and ferroelectrics and hold great promise for wide-ranging applications in energy conversion and electronic devices. However, harnessing their superior properties presents a significant challenge due to the delicate balance required between their various states. In this study, through the unique design of nanopillar structures to alleviate the local polar heterogeneity, we have achieved significantly improved piezo-/ferro-electricity in classic lead-free antiferroelectric AgxNbO3-δ (x = 1, 0.9, and 0.8) epitaxial thin films. The effective piezoelectric coefficient reaches 440 pm V-1, 1 order of magnitude larger than the stoichiometric AgNbO3, rivaling classic lead zirconate titanate piezoelectrics. Atomic-scale electron microscopy investigations unravel the underlying mechanisms. The nanopillars, characterized by antisite occupancy of both Ag and Nb atoms and forming out-of-phase boundaries with the matrix, reduce the local crystal symmetry via interphase strain. This leads to the creation of flexible multinanodomain structures that significantly facilitate polarization rotation, thus substantially enhancing the piezoelectric performance. This study demonstrates the feasibility of engineering local heterogeneity through nanopillar design, offering a generally applicable method for property improvement of a wide range of antiferroelectrics.

Symmetry-Broken Electronic State of CsPbBr3 Cubic Perovskite Nanocrystals.

The development of densely packed, self-assembled perovskite nanocrystals (PeNCs) with a favorable transition dipole moment (TDM) orientation is crucial for their application in solution-processable electronic devices. In this study, we fabricated anisotropic CsPbBr3 PeNCs with a symmetry-broken electronic state on quartz substrates modified by 3-aminopropyltrimethoxysilane (APS). Densely packed and self-assembled monolayers of cubic PeNCs were formed on the substrates by using a dip coating technique. The angle-dependent absorption and photoluminescence (PL) spectra confirmed that the PeNC monolayer on the APS-treated substrate exhibited anisotropic electronic states in the in-plane and out-of-plane directions of the substrate. In contrast, when the quartz substrate was modified with the long alkyl silane coupling agent, octadecyltrimethoxysilane, the absorption and PL spectra exhibited no angular dependence, indicating the absence of anisotropy. Experimental and simulated results confirmed the presence of vertical TDMs in the densely packed PeNCs on the APS-treated substrate, which could be attributed to the effect of the amino groups of the APS on the facet of the cubic PeNCs facing the quartz substrate. Hence, surface chemical modifications of the substrate can aid in the precise control of the symmetry of the electronic states and TDM orientation in cubic PeNCs. These findings can promote the development of densely packed, high-coverage PeNC films with a controllable TDM orientation for applications in electronic devices such as solar cells, sensors, and light-emitting diodes.

Low-temperature sol–gel preparation of single-phase PbZrO3 ceramics

Antiferroelectrics have recently captured widespread attention for their potential applications in energy storage capacitors, electronic and electrothermal devices. PbZrO3, being the first antiferroelectric discovered, remains the focus of antiferroelectric studies. Conventionally, the PbZrO3 ceramics were prepared via a high-temperature solid-state reaction method (higher than 1000∘C). Here, we report a simple sol–gel route to prepare single-phase PbZrO3 ceramic at a much lower calcination temperature of 600∘C. By using the single-phase PbZrO3 ceramics, thin films with outstanding antiferroelectric property showing well-defined double-hysteresis polarization switching were further obtained by pulsed laser deposition.