Energy Barrier Height Research Articles

Electronic 1/f noise as a probe of dimensional effects on spin-glass dynamics

Over the past decade, spin-glass simulations have improved to the point that they now access time- and length-scales comparable to experiments at the mesoscale. A recent series of thin-film field-cooled/zero-field-cooled magnetization (FC/ZFC) experiments demonstrated activated spin dynamics, with a temperature-independent activation energy proportional to the logarithm of the film thickness and with coefficients in remarkable agreement with the simulation. These measurements require the application of small magnetic fields, which has been shown to affect the spin-glass energy landscape. Measurements of the 1/f noise in metallic spin-glasses have been previously shown to be a sensitive probe of the spin dynamics, and the measurements can be made without applying a magnetic field. In this mini-review, we review these techniques and discuss how transport measurements can fit into the current landscape of spin-glass measurements. We compare previous measurements to more recent measurements on similar films, made with ostensibly different cooling protocols, and compare both the previous and recent measurements to the magnetometry. The transport measurements—taken over a wider range of temperature than magnetometry—suggest that the maximum spin-glass energy barrier height is temperature-dependent, not fixed, possibly due to two-dimensional dynamics. We discuss this possibility, along with future measurements, which may be able to resolve this mystery.

Tailoring Single-Electron Emission Distributions in the Time-Energy Phase Space.

The precise characterization and control of single-electron wave functions emitted from a single-electron source are essential for advancing electron quantum optics. Here, we introduce a method for tailoring a single-electron emission distribution using energy filtering, enabling selective control of the distribution under various energy barrier conditions of the filter. The tailored electron is studied by reconstructing its Wigner distribution in the time-energy phase space using the continuous-variable tomography method. Our results reveal that the filtering cuts the portion of the distribution below the energy-barrier height of the filter in the time-energy space. While the filtering is demonstrated in a classical regime of the emitted electrons, we expect that this study significantly contributes to the design and implementation of advanced experiments toward quantum information processing based on single electrons.

Stochastic Multiscale Modeling of Electrical Conductivity of Carbon Nanotube Polymer Nanocomposites: An Interpretable Machine Learning Approach

This study introduces an interpretable machine learning (ML) framework for efficiently predicting the electrical conductivity of carbon nanotube (CNT)/polymer nanocomposites. A stochastic multiscale numerical model based on representative volume element (RVE) is employed to generate a representative dataset. This dataset is used to train three ML models, including random forest, XGBoost, and artificial neural networks (ANN). The dataset includes six input features: CNT length, aspect ratio, intrinsic CNT conductivity, number of CNT conduction channels, energy barrier height, and volume fraction, with the electrical conductivity of the nanocomposites as the output feature. The findings highlight the exceptional accuracy of the ANN model in predicting electrical conductivity at significantly lower computational costs. Furthermore, the use of Shapley additive explanations (SHAP) enhances the interpretability of these ML models, identifying the volume fraction, energy barrier height, and intrinsic CNT conductivity as the most influential factors affecting conductivity. This approach sets the stage for rapid and efficient modeling of CNT/polymer nanocomposites facilitating the design of materials with tailored electrical properties for diverse applications.

Single-Molecule-Level Quantification Based on Atomic Force Microscopy Data Reveals the Interaction between Melittin and Lipopolysaccharide in Gram-Negative Bacteria.

The interaction forces and mechanical properties of the interaction between melittin (Mel) and lipopolysaccharide (LPS) are considered to be crucial driving forces for Mel when killing Gram-negative bacteria (GNB). However, how their interaction forces perform at the single-molecule level and the dissociation kinetic characteristics of the Mel/LPS complex remain poorly understood. In this study, the single-molecule-level interaction forces between Mel and LPSs from E. coli K-12, O55:B5, O111:B4, and O128:B12 were explored using atomic force microscopy (AFM)-based single-molecule force spectroscopy (SMFS). AFM-based dynamic force spectroscopy (DFS) and an advanced analytical model were employed to investigate the kinetic characteristics of the Mel/LPS complex dissociation. The results indicated that Mel could interact with both rough (R)-form LPS (E. coli K-12) and smooth (S)-form LPSs (E. coli O55:B5, O111:B4, and O128:B12). The S-form LPS showed a more robust interaction with Mel than the R-form LPS, and a slight difference existed in the interaction forces between Mel and the diverse S-form LPS. Mel interactions with the S-form LPSs showed greater specific and non-specific interaction forces than the R-form LPS (p < 0.05), as determined by AFM-based SMFS. However, there was no significant difference in the specific and non-specific interaction forces among the three samples of S-form LPSs (p > 0.05), indicating that the variability in the O-antigen did not affect the interaction between Mel and LPSs. The DFS result showed that the Mel/S-form LPS complexes had a lower dissociation rate constant, a shorter energy barrier width, a longer bond lifetime, and a higher energy barrier height, demonstrating that Mel interacted with S-form LPS to form more stable complexes. This research enhances the existing knowledge of the interaction micromechanics and kinetic characteristics of Mel and LPS at the single-molecule level. Our research may help with the design and evaluation of new anti-GNB drugs.

Regulating the interfacial structure in percolating graphite nanoplate/PVDF composites via TiO2 as an interlayer towards meliorative dielectric performances

Polymer nanocomposites combining large dielectric permittivity (ε′) but low loss along with high breakdown strength (Eb) have garnered significant attention in the fields of electronic devices and power systems. To concurrently accomplish these desirable performances in pristine graphite nanoplates (GNP)/poly(vinylidene fluoride, PVDF) composites, the GNP were initially encased by a layer of anatase-type titanium dioxide (TiO2) shell, and then incorporated into PVDF to investigate the effect of TiO2 interlayer on the dielectric properties of the nanocomposites, specifically in relation to the thickness of the TiO2 shell and the nanofiller concentration. The TiO2 shell acts as a barrier layer prohibiting the electronic percolating, thus significantly reducing the dielectric loss and leakage conductivity of the GNP@TiO2/PVDF. Moreover, it not only alleviates the strong dielectric mismatch between GNP and PVDF, which restrains local electric field distortion, but also introduces charge traps, raising the energy barrier height for captured charge detrapping and preventing the growth of electric trees and subsequently promoting the Eb. For example, the PVDF with 20 wt% of GNP@TiO2 exhibited good comprehensive dielectric performances: ε′ of 50.63, loss factor of 0.071 (100 Hz) and Eb of 7.89 kV/mm. Additionally, tailoring the TiO2’s thickness can simultaneously modulate the overall dielectric parameters in the GNP@TiO2/PVDF. Theoretical fitting of experimental data via Havriliak-Negami equation uncovers the underlying polarization mechanism and the interlayer’s impact on charge migration. This work provides an efficient method for developing and producing polymeric nanodielectrics that simultaneously incorporate increased Eb with high ε′ but low loss for potential use in power devices and microelectronic devices.

A theoretical exploration of monomer activation mechanisms in bis-lithium N[sbnd]heterocyclic carbenes complexes for enhanced understanding of charge distribution in ring-opening polymerization of ε-caprolactone

A comprehensive examination was conducted on the ring-opening polymerization (ROP) mechanism of ε-caprolactone (ε-CL) employing bis-lithium N-heterocyclic carbene complexes (bisLiNHCs) in a theoretical framework. The modeled reactions were carried out utilizing density functional theory at B3LYP level. An activated-monomer mechanism was observed, characterized by occurrence of two distinct transition states. Initiating with activation of ε-CL via two lithium atoms from bisLiNHCs catalysts, the ensuing step involved nucleophilic addition of carbonyl group stemming from the lithium benzoxide (LiBnO) initiator. The ring opening ε-CL was accomplished via classical cleavage of acyl-oxygen bond. The determination of reaction barrier heights for ε-caprolactone with bisLiNHCs catalysts involved the examination of potential energy profiles. The computed energy profiles revealed exothermic characteristics for each ROP reaction, with the identification of a rate-determining step occurring at the second transition state, which entailed cleavage of acyl-oxygen bond from monomer. Furthermore, through comparisons catalytic capabilities of bisLiNHCs derivatives and energy barrier heights, it was observed that the length and flexibility of linker chain as well as steric effects from substituent groups, significantly influenced the geometric configuration. These specific variations induce alterations in both distance and angular orientation, which are pivotal aspects influencing the chelation dynamics between lithium and oxygen atoms.

Alcohol-bridged dinuclear dysprosium single-molecule magnets

Herein we showcase triple-bridged symmetric dinuclear dysprosium complexes with the core structure of general chemical formula Dy2(L1)2(L2)2(R-OH) (R = Me, 1; Et, 2; iPr, 3; pHCH2, 4) involving bridging alcohol molecules. L1 and L2 represent the deprotonated form of oxazole 4‑tert‑butyl‑2-(7-methoxybenzo[d]oxazol-2-yl)phenol and Schiff-base (E)-2,4-di‑tert‑butyl‑6-((3,5-di‑tert‑butyl‑2-hydroxybenzylidene)amino)phenol, respectively. Single-crystal X-ray structural characterization revealed an unprecedented long Dy-O bond length for the benzyl alcohol analogue. The corresponding long Dy-O bond lengths in 1–4 are 2.7825, 2.6651, 2.6021 and 2.9955 Å, respectively. Alternating current magnetic susceptibility measurements at zero dc field revealed that all four complexes display clear frequency dependence signal peaks, indicating single-molecule magnet behavior. The spin reversal energy barrier heights for 1, 2 and 4 are 31.1, 27.6 and 17.4 K. The dynamic magnetic behavior is influenced by the different Dy-O bond lengths derived from the bridging alcohol molecules. Theoretical calculations were employed to establish magneto-structural correlations in 1–4. Magneto-structural correlations with respect to the alcohol molecule participating in triple-bridged symmetric dinuclear dysprosium complexes is established with the help of quantum-chemical calculations.

Inhibition of the Early-Stage Cross-Amyloid Aggregation of Amyloid-β and IAPP via EGCG: Insights from Molecular Dynamics Simulations.

Amyloid-β (Aβ) and islet amyloid polypeptide (IAPP) are small peptides that have the potential to not only self-assemble but also cross-assemble and form cytotoxic amyloid aggregates. Recently, we experimentally investigated the nature of Aβ-IAPP coaggregation and its inhibition by small polyphenolic molecules. Notably, we found that epigallocatechin gallate (EGCG) had the ability to reduce heteroaggregate formation. However, the precise molecular mechanism behind the reduction of heteroaggregates remains unclear. In this study, the dimerization processes of Aβ40 and IAPP peptides with and without EGCG were characterized by the enhanced sampling technique. Our results showed that these amyloid peptides exhibited a tendency to form a stable heterodimer, which represented the first step toward coaggregation. Furthermore, we also found that the EGCG regulated the dimerization process. In the presence of EGCG, well-tempered metadynamics simulation indicated a notable shift in the bound state toward a greater center of mass (COM) distance. Additionally, the presence of EGCG led to a significant increase in the free energy barrier height (∼15k B T) along the COM distance, and we observed a transition state between the bound and unbound states. Our findings also unveiled that the EGCG formed a greater number of hydrogen bonds with Aβ40, effectively obstructing the dimer formation. In addition, we carried out microseconds of all-atom conventional molecular dynamics (cMD) simulations to investigate the formation of both hetero- and homo-oligomer states by these peptides. MD simulations illustrated that EGCG played a significant role in preventing oligomer formation by reducing the content of β-sheets in the peptide. Collectively, our results offered valuable insight into the mechanism of cross-amyloid aggregation between Aβ40 and IAPP and the inhibition effect of EGCG on the heteroaggregation process.

Synergistically depressed dielectric loss and elevated breakdown strength in core@double-shell structured Cu@CuO@MgO/PVDF nanocomposites

To synergistically bolster breakdown strength (Eb) and restrain dielectric loss in the copper (Cu)/poly(vinylidene fluoride, PVDF) presenting a giant dielectric constant (ε), we explore the PVDF nanocomposites with a serial of core@double-shell Cu@CuO (copper oxide)@MgO (magnesium oxide) nanofillers with various MgO shell thicknesses. The double-shell CuO@MgO not only improves the interface compatibility between filler and matrix but also increases the energy barrier height for charge migration across the nanocomposites and facilitates the formation of charge traps, thus impeding long-distance carrier transport and resulting in restrained dielectric loss. Further, the MgO shell with appropriate ε and wide bandgap effectively alleviates the strong dielectric mismatch between neat Cu and PVDF, which significantly lessens the local electric field distortion thereby resulting in elevated Eb. Moreover, the overall dielectric performances of the Cu@CuO@MgO/PVDF can be modulated via altering the MgO shell thickness. This core@double-shell strategy offers a new paradigm for the design and preparation of percolating nanocomposites with desirable integrated dielectric performances.

Five Hypotheses on the Origins of Temperature Dependence of 77Se NMR Shifts in Diselenides.

Notable thermal shifts in diselenides have been documented in 77Se NMR for more than 50 years, but no satisfactory explanation has been found. Here, five hypotheses are considered as possible explanations for the large temperature dependence of the 77Se chemical shifts of diaryl and dialkyl diselenides compared to monoselenides and selenols. Density functional theory calculations are provided to bolster hypotheses and better understand the effects of barrier height and dipole energies. It is proposed that the temperature dependence of diselenide 77Se NMR chemical shifts is due to rotation around the Se-Se bond and sampling of twisted conformers at higher temperatures. The molecular twisting is solvent dependent; here, DMSO-d6 and toluene-d8 were evaluated. No correlation was established between para-substituents on diaryl diselenides and the magnitude of the change in the 77Se NMR shift (Δδ) with temperature.

3D Domain Arrangement in van der Waals Ferroelectric α‐In2Se3

AbstractOne of the exceptional features of the van der Waals (vdW) ferroelectrics is the existence of stable polarization at a level of atomically thin monolayers. This ability to withstand a detrimental effect of the depolarization fields gives rise to complex domain configurations characterized, among others, by the presence of layered “antipolar” head‐to‐head (H‐H) or tail‐to‐tail (T‐T) dipole arrangements. In this study, tomographic piezoresponse force microscopy (TPFM) is employed to study the 3D polarization arrangement in vdW ferroelectric α‐In2Se3. Sequential removal of thin layers from the polar surface using the PFM tip reveals a complex 3D profile of the domain walls in the α‐In2Se3 crystals. Antiparallel domain layers stacked along the polar direction are also observed by PFM imaging of the non‐polar surfaces showing that H‐H and T‐T domain boundaries are commonly present in α‐In2Se3. Application of TPFM to the electrically written domains allows evaluation of their geometrical lateral‐to‐vertical size aspect ratio, which shows a strong prevalence for the sidewise expansion in comparison to the forward growth. Local I–V measurements reveal a strong polarization direction dependence of conductivity due to the modulation of the energy barrier height as corroborated by theoretical modeling.

Thermal rate constants and kinetic isotope effects of the H + H2O2 reactions: barrier height and reaction energy from single- and multireference methods.

One of the more significant sub-mechanisms of H2/O2 combustion involves the reaction of hydrogen peroxide with hydrogen atoms (H + H2O2), resulting in the production of OH + H2O (R1) and H2 + HO2 (R2) paths. Previous experimental and ab initio calculations reveal some variations in the barrier height for (R1). To improve the energetics of both (R1) and (R2), single reference and multireference ab initio methods are employed, and the rate constants and H/D kinetic isotope effects (KIEs) are calculated as a function of temperature. For (R1), the best results for the barrier height and reaction energies computed with the CASPT2(15,11)/aug-cc-pV6Z are 5.2 and - 70.3kcal.mol-1, respectively. CCSD(T)/aug-cc-pV5Z + CV (core-valence) calculations for (R2) give 9.7 and - 15.6kcal.mol-1 to those parameters. The CVT/SCT rate constants of both paths agree well with the fitted rate constants from uncertainty-weighted statistical analysis of the 14-mechanism of H2/O2. The kinetic isotopic effect (kH/kD) for the reaction D + H2O2 → DH + HO2 was found to be 0.47, which is in excellent agreement with the experimental value of 0.43. The structures of reactants, transition state, and products of (R1) and (R2) are calculated with the aug-cc-pVTZ basis set and M062X DFT, CCSD(T), and CASSCF methods. The barrier heights and reaction energies of (R1) and (R2) are computed using the M06-2X, CCSD(T), MRCI, and CASPT2 methods and various basis sets. The rate constants are calculated with the variational transition state theory including multidimensional tunneling corrections (VTST-MT), with potential energy surfaces built by the M06-2X/aug-cc-pVTZ approach.

Effects of UV/O3 and O2 plasma surface treatments on the band-bending of ultrathin ALD-Al2O3 coated Ga-polar GaN

The recently demonstrated semiconductor grafting approach allows one to create an abrupt, low interface-trap-density heterojunction between a high-quality p-type single-crystalline semiconductor (non-nitrides) with n-type GaN. However, due to the surface band-bending from GaN polarization, an energy barrier exists at the grafted heterojunction, which can impact the vertical charge carrier transport. Reducing the energy barrier height is essential for some advanced device development. In this work, we employed UV/O3 and O2 plasma to treat a Ga-polar GaN surface with/without an ultrathin (∼2 nm) ALD-Al2O3 coating and studied the effects of the treatments on surface band-bending. Through XPS measurements, it was found that the treatments can suppress the upward band-bending of the Ga-polar GaN by 0.11–0.39 eV. The XPS results also showed that UV/O3 treatment is an effective surface cleaning method with little surface modification, while O2 plasma causes a strong oxidation process that occurs inside the top layer GaN.

Tunneling Effect of Fermions in Silicene Through Potential Barrier

AbstractThe influence of a a rectangular potential barrier on the quantum transport of fermions in silicene is explored. Specifically, analytical solutions are presented to derive transmission and reflection probabilities together with conductance. It is shown that the transmission is highly sensitive to both the barrier height and incident energy. As a result, the occurrence of Klein and resonant tunnelings is observed, with a significant dependence on the barrier width. Notably, it is found that perfect transmission extends beyond normal incidence, occurring at various oblique angles. Moreover, the transmission pattern exhibits a more fragmented structure with increasing barrier width, reminiscent of Fabry‐Pérot resonances. In contrast, the conductance displays a non‐monotonic dependence on incident energy and features rapid oscillations with a rising barrier height. However, at a constant barrier height, there is a minimal disparity among conductance profiles for high incident energy values. When incident energy equals the barrier height, the conductance experiences a local minimum. For a thin barrier, a substantial reduction in conductance is observed, unlike the oscillatory behavior seen with a thicker barrier. These findings underscore the progress in silicene research and offer a fresh perspective on the relativistic applications of tunneling in this material.

Solute interaction-driven and solvent interaction-driven liquid-liquid phase separation induced by molecular size difference.

We conducted molecular dynamics (MD) simulations in a binary Lennard-Jones system as a model system for molecular solutions and investigated the mechanism of liquid-liquid phase separation (LLPS), which has recently been recognized as a fundamental step in crystallization and organelle formation. Our simulation results showed that LLPS behavior varied drastically with the size ratio of solute to solvent molecules. Interestingly, increasing the size ratio can either facilitate or inhibit LLPS, depending on the combination of interaction strengths. We demonstrated that the unique behavior observed in MD simulation could be reasonably explained by the free energy barrier height calculated using our thermodynamic model based on the classical nucleation theory. Our model proved that the molecular size determines the change in number of interaction pairs through LLPS. Varying the size ratio changes the net number of solute-solvent and solvent-solvent interaction pairs that are either broken or newly generated per solute-solute pair generation, thereby inducing a complicated trend in LLPS depending on the interaction parameters. As smaller molecules have more interaction pairs per unit volume, their contribution is more dominant in the promotion of LLPS. Consequently, as the size ratio of the solute to the solvent increased, the LLPS mode changed from solute-related interaction-driven to solvent-related interaction-driven.

Kinetic Asymmetry and Directionality of Nonequilibrium Molecular Systems

AbstractScientists have long been fascinated by the biomolecular machines in living systems that process energy and information to sustain life. The first synthetic molecular rotor capable of performing repeated 360° rotations due to a combination of photo‐ and thermally activated processes was reported in 1999. The progress in designing different molecular machines in the intervening years has been remarkable, with several outstanding examples appearing in the last few years. Despite the synthetic accomplishments, there remains confusion regarding the fundamental design principles by which the motions of molecules can be controlled, with significant intellectual tension between mechanical and chemical ways of thinking about and describing molecular machines. A thermodynamically consistent analysis of the kinetics of several molecular rotors and pumps shows that while light driven rotors operate by a power‐stroke mechanism, kinetic asymmetry—the relative heights of energy barriers—is the sole determinant of the directionality of catalysis driven machines. Power‐strokes—the relative depths of energy wells—play no role whatsoever in determining the sign of the directionality. These results, elaborated using trajectory thermodynamics and the nonequilibrium pump equality, show that kinetic asymmetry governs the response of many non‐equilibrium chemical phenomena.

Influence of Al2O3 atomic-layer deposition temperature on positive-bias instability of metal/Al2O3/β-Ga2O3 capacitors

The influence of Al2O3 atomic-layer deposition (ALD) temperature on the electric characteristics of Al/Al2O3/(2¯01) β-Ga2O3 capacitors was investigated focusing on the positive-bias instability (PBI) of the capacitors. The current in the capacitors increased with ALD temperature, mostly because of the reduced energy barrier height for the electron field emission from the substrate and less negative Al2O3 charge, as revealed by the analysis conducted assuming a space-charge-controlled field emission process. The PBI tests were conducted for cumulative voltage stressing times vastly ranging from 3 × 10−6 to 4 × 105 s. The capacitance–voltage (C–V) characteristics of the capacitors for an ALD temperature of 100 °C displayed negative shifts in the middle of voltage stressing, unlike those for the other ALD temperatures. The bias stability of the capacitors was found to be considerably improved by high-temperature (450 °C) ALD. Additionally, the C–V characteristic shifts caused by the voltage stressing were theoretically reproduced quite accurately, assuming a model proposed in this study. In the simulations, the trap distributions in the Al2O3 films were assumed to be uniform both spatially and energetically. Importantly, the experimental results for various stressing voltages were excellently fitted by the simulations that assumed the same trap distribution. The trap densities in the Al2O3 films thus estimated reduced from 1.2 × 1020 to 2.2 × 1019 cm−3 eV−1 for ALD temperatures of 100–450 °C. This reduction in the trap densities was a major cause of the bias stability enhancement for high-temperature ALD. Moreover, the trap density as a function of ALD temperature qualitatively agreed with the aforementioned Al2O3 charge generated by the current measurements. This agreement provides a strong basis for the validity of the PBI model proposed in this study.

An investigation into transition states of cyclic tetra-atomic silicon and germanium interstellar dust compounds: SixC4-x, GexC4-x, and GexSi4-x (x ∈ {1,2,3}).

Presented in this work is a thorough determination of the transition states between the different isomers of cyclic tetra-atomic silicon carbide, germanium carbide, and germanium silicide clusters. Through use of density functional theory (B3LYP-D3BJ, M06-2X, ωB97X-D4, and B2GP-PLYP) in conjunction with the aug-cc-pVTZ basis set, transition state structures and their barrier heights are determined for the interconversions between the various isomers for the family of tetra-atomic SiC, GeC, and GeSi compounds. SiC dust grains are known to be prevalent in interstellar dust, and among this group, so far only diamond-shaped (d-)SiC3 has been detected in the interstellar medium (ISM). Determining which other structures might be detectable not only depends on their intrinsic spectroscopic features, but whether or not they are likely to exist as isomers in interstellar environments. By examining the energy barrier heights for transitions between isomers, we determined that many of these structures are unlikely to exhibit interconversion in the ISM, outside of hotter circumstellar environments. Although Boltzmann population ratios at approximate circumstellar temperatures suggest the presence of higher energy minima, it is likely that once interconversion happens, as molecules travel away from a star and cool, they will get kinetically trapped in the potential energy well they inhabit, making how the ratios freeze out dependent on the time and pathways the molecules take to cool down. As such, many of these higher energy minima may still be good candidates for detection including (rhomboidal) r-SiC3, r-GeC3, r-GeSi3, (trapezoidal) t-Si2C2, r-Ge2C2, and d-Si3C.

Nuclear quantum effects on the intramolecular hydrogen bonds in biuret and biguanide.

We focus on the unique aspects of biuret and biguanide, which form six-membered ring structures via intramolecular hydrogen bonds. The proton donor and acceptor atoms differ between biuret and biguanide, leading to varying energy barrier heights for proton transfer. We performed path integral molecular dynamics (PIMD) simulations for biuret and biguanide to investigate the correlation between proton transfer and the degree of the delocalization of π-electrons in the six-membered ring framework structure. The results indicate that the π-electrons in the framework structure are delocalized regardless of the ease of intramolecular proton transfer.

Evaluation of ferroelectricity in a distorted wurtzite-type structure of Sc-doped LiGaO2.

Since the discovery of ferroelectricity in a wurtzite-type structure, this structural type has gathered much attention as a next-generation ferroelectric material due to its high polarization value combined with its high breakdown strength. However, the main targets of wurtzite-type ferroelectrics have been limited thus far to simple nitride/oxide compounds. The investigation of new ferroelectric materials with wurtzite-type structures is important for understanding ferroelectricity in such structures. We therefore focus on β-LiGaO2 in this study. Although AlN and ZnO possess well-known wurtzite-type structures (P63mc), β-LiGaO2 has a distorted wurtzite-type structure (Pna21), and there are no reports of ferroelectricity in LiGaO2. In this study, we have revealed that LiGaO2 exhibits relatively high barrier height energy for polarization switching, however, Sc doping effectively reduces that energy. Then, we conducted thin film preparation and evaluation for Sc-doped LiGaO2 to observe its ferroelectric properties. We successfully observed ferroelectric behavior by using piezoresponse force microscopy measurements for LiGa0.8Sc0.2O2/SrRuO3/(111)SrTiO3.