Metal-insulator Transition Research Articles

Low Hysteresis Vanadium Dioxide Integrated on Silicon Using Complementary Metal‐Oxide Semiconductor Compatible Oxide Buffer Layer

VO2 undergoes a metal‐insulator transition (MIT) at ≈70 °C, which induces large variations in its electrical and wavelength‐dependent optical properties. These features make VO2 a highly sought‐after compound for optical, thermal, and neuromorphic applications. To foster the development of VO2‐based devices for the microelectronic industry, it is also imperative to integrate VO2 on silicon. However, high lattice mismatch and the formation of silicates at the interface between VO2 and Si degrade the quality and functionality of VO2 films. Moreover, VO2's polymorphic nature and stable VO phases pose integration issues. To address these challenges, the MIT of VO2 thin films integrated on Si with a complementary metal‐oxide semiconductor‐compatible HfxZr1−xO2 (HZO) buffer layer is investigated. Using in situ high‐resolution X‐ray diffraction and synchrotron far‐infrared spectroscopy, combined with multiscale atomic and electronic structure characterizations, it is demonstrated that VO2 on the HZO buffer layer exhibits an unusually low thermal hysteresis of ≈4 °C. In these results, the influence of strain on M2 phase nucleation, which controls the hysteresis, is unraveled. Notably, the rate of phase transition is symmetric and does not change for the heating and cooling cycles, implying no incorporation of defects during cycling, and highlighting the potential of an HZO buffer layer for reliable operation of VO2‐based devices.

Mott Memristors for Neuromorphics

AbstractNeuromorphic computing has emerged as a key solution for overcoming the challenge of von Neumann bottleneck, offering a pathway to more efficient and biologically inspired computing systems. A crucial advancement in this field is the utilization of Mott insulators, where the metal‐insulator transition (MIT) elicits substantial alterations in material properties, infusing renewed vigor into the progression of neuromorphic systems. This review begins by explaining the MIT mechanisms and the preparation processes of Mott insulators, followed by an introduction of Mott memristors and memristor arrays, showing different types of multidimensional integration styles. The applications of Mott memristor in neuromorphic computing are then discussed, which include artificial synapse designs and various artificial neuron architectures for sensory recognition and logic calculation. Finally, facing challenges and potential future directions are outlined for utilizing Mott memristors in the advancement of neuromorphic computing. This review aims to provide a thorough understanding of the latest advancements in Mott memristors and their applications, offering a comprehensive reference for further research in related areas, and contributing to bridging the gap between traditional silicon‐based electronics and future brain‐inspired architectures.

Temperature tunable broadband filter based on hybridized vanadium dioxide (VO2) metasurface

Abstract In this paper, a novel temperature tunable terahertz (THz) broadband filter based on hybridized vanadium dioxide (VO2) metasurface (MS) was proposed. The designed MS is composed of subwavelength metallic square-grid structure situated between two layers of metallic square-patch structure integrated with VO2 film pad spaced with two layers of dielectric substrate. Utilizing the insulator-metal phase transition characterizations of VO2 in the THz regime, the operation mode of the proposed MS filter accomplishes the broadband transmission-to-reflection transition. Simulation results show that when VO2 is in the insulating state with a lower external temperature, the proposed MS behaves like a broadband filter with transparent window and a transmittance of above 80% over the frequency range of 0.66–1.12 THz. However, when VO2 undergoes the metallic state with a higher external temperature, the MS becomes a broadband filter with low-transmission shielding and exhibiting a transmittance of below 10% across the frequency spectrum from 0.56 THz to 1.4 THz. The physical mechanism of the proposed MS based tunable broadband filter is illustrated by introducing impedance matching theory, equivalent circuit model and field analysis. In addition, the proposed MS structure offers exceptional angular stability and polarization insensitivity, opening up new opportunities for the utilization of energy selective surface in THz applications.

Modeling of the metal–insulator transition temperature in alio-valently doped VO2 through symbolic regression

The correlated semiconductor vanadium dioxide (VO2) exhibits an insulator–metal transition (IMT) near room temperature, which is of interest in various device applications. Precise IMT temperature control is crucial to determine the use cases across technologies such as thermochromic windows, actuators for robots or neuronal oscillators. Doping the cation or anion sites can modulate the IMT by several tens of degrees and control hysteresis. However, modeling the effects of control parameters (e.g., doping concentration, type of dopants) is challenging due to complex experimental procedures and limited data, hindering the use of traditional data-driven machine learning approaches. Symbolic regression (SR) can bridge this gap by identifying nonlinear expressions connecting key input parameters to target properties, even with small data sets. In this work, we develop SR models to capture the IMT trends in VO2 influenced by different dopant parameters. Using experimental data from the literature, our study reveals a dual nature of the IMT temperature with varying tungsten (W) doping concentrations. The symbolic model captures data trends and accounts for experimental variability, providing a complementary approach to first-principles calculations. Our feature-driven analysis across a broader class of dopants informs selectivity and provides qualitative insights into tuning phase transition properties valuable for neuromorphic computing and thermochromic windows.

Flexibility, Dispersion Property, and Giant Sunlight Absorption of Monolayer MX2 (M = Zr, Hf; X = S, Se) and Related Janus MXY (M = Zr, Hf; X = S, Y = Se)

IVB–VIA transition metal dichalcogenides (TMDs) MX2 (M = Zr, Hf; X = S, Se) and related Janus MXY (M = Zr, Hf; X = S, Y = Se) have garnered significant attention due to their unique optoelectronic properties. To further explore their potential in flexible photonics, their mechanical, band dispersion, and optical dielectric properties using orbital hybrid theory are investigated. The results reveal that the out‐of‐plane linear compression resistance of these materials is considerably lower than their in‐plane resistance, primarily because van der Waals interactions are much weaker compared to ionic bond interactions. This characteristic makes them less susceptible to external pressure and torsional forces, positioning them as promising candidates for flexible optoelectronic devices. Furthermore, the presence of multiple energy bands at the same momentum state suggests a tendency toward metal–insulator transitions. Notably, the materials exhibit a high photon flux, indicating robust photoelectric conversion capabilities, making them suitable for applications in photoelectric transducers. This study not only deepens the understanding of the optoelectronic and mechanical properties of IVB–VIA TMD materials, but also offers theoretical guidance for the development and application of flexible optoelectronic devices based on IVB‐VIA TMDs and related Janus materials.

Signature of the Kondo effect in superparamagnetic GO incorporated Cobalt substituted Ni/NiO nanoparticles

The study reports on the magnetization, magnetoresistance, and transport properties of superparamagnetic 10% Co-doped Ni/NiO (C10-NN), Graphene Oxide (GO) incorporated 10% Co-doped Ni/NiO (C10-NNG), and 15% Co-doped Ni/NiO (C15-NN) nanoparticles synthesized via a microwave-assisted sol-gel auto-combustion method. All samples show hysteresis in negative Magnetoresistance (M-R) at different temperatures. Resistivity ρ(T) versus temperature plots of samples C10-NN and C15-NN show metallic behavior with applied fields of 0, 1, 5, 8 T, and at 0 T, 1 T respectively. However, the plot of R-T of the C15-NN sample shows a significant difference at 0 T and 1 T. At 0 T for this sample, the metallic behavior is observed for temperature T > TM, with the resistivity falling abruptly at and above TM = 246 K. The resistivity decreases with increasing temperature, exhibiting metallic behavior again above TMM < 276 K. This jump at 276 K, indicating a metal-to metal transition. The Kondo effect is observed for the first time in C10-NNG sample. The upturn of resistivity ρ(T) towards low temperature in the C10-NNG sample is well described by the power series equation and Kondo term. This sample exhibits the upturn resistivity along with a metal–insulator transition above and below the Kondo temperature TK≈ 93.51(2) K at the 0 T, 1 T, 5 T, and 8 T fields.

Terahertz switchable vortex beam generator based on vanadium dioxide reflective metasurface

Vortex beams exhibit significant potential for applications in diverse fields, such as optical communications, particle manipulation, and quantum information, due to the orbital angular momentum (OAM) they carry. While substantial progress has been made in the generation of vortex beams and the control of their wavefronts, further optimization is necessary to enhance the variability of OAM modes and the modulation of focusing. This study presents three tunable vortex beam generators based on vanadium dioxide metasurfaces. By leveraging the insulator-metal phase transition of vanadium dioxide (VO2), these metasurfaces can convert incident left-circularly polarized (LCP) light into a deflected vortex beam with adjustable OAM modes, a switchable focused vortex beam, or a focused vortex beam with tunable OAM modes in the terahertz band. Specifically, by varying the angle of the incident light, a vortex beam carrying variable topological charges can be deflected over a range from -34° to 90°. Vortex beams with a topological charge of 1 enable reversible switching between near-focus (0.85 mm) and far-focus (3.2 mm), demonstrating highly effective tunable focusing capabilities. Additionally, focused vortex generators with switchable topological charges are proposed. Focused vortex beams with a topological charge of -1 are generated in the insulating state, while a topological charge of -2 is observed in the metallic state. These vortex beam generators allow for different phase gradient distributions in the phase transition states, enabling diverse OAM and variable focuses. This research has potential applications in areas such as dynamic imaging and optical communications.

Artificial afferent neurons based on the metal-insulator transition of VO2

Artificial afferent neurons based on the metal-insulator transition of VO2

Mapping causal pathways with structural modes fingerprint for perovskite oxides

Abstract Causality is innate to determination of fundamental mechanism controlling any physical phenomena. However, combining causality within the standard practices of computational modeling to understand structure-functionality connections is extremely rare. This work proposes a fingerprint based on key structural modes for ABO3-type perovskite oxides and its derivatives, combined with causal models, for predicting Kohn-Sham energies. Our study of causal models capture the inherent coupling between structural modes such as rotation, tilt and antiferroelectric displacements, responsible for phase transition, polarization, magnetization and metal-insulator transition, exhibited by these materials. Although developed for modeling specific functionality, this method is universally applicable to derive other functionalities and even different material classes while tracking hidden causal mechanisms via structural distortions.&amp;#xD;

Sr-Doping-Modulated Metal-Insulator Transition in NdNiO3 Epitaxial Films

Abstract Perovskite-structured nickelates, ReNiO3 (Re = rare-earth), have long garnered significant research interest due to their sharp and highly tunable metal-insulator transition (MIT). Doping the parent compound ReNiO3 compound with alkaline earth metal can substantially suppress this MIT. Recently, intriguing superconductivity has been discovered in doped infinite-layer nickelates (ReNiO2), while the mechanism behind A-site doping-suppressed MIT in the parent compound ReNiO3 remains unclear. To address this question, we grew a series of Nd1-x Sr x NiO3 (x = 0 ~ 0.2) thin films and conducted systematic electrical transport measurements. Our resistivity and Hall measurements suggest that Sr-induced excessive holes is not the primary reason for MIT suppression. Instead, first-principles calculations indicate that Sr cations, with larger ionic radius, suppress breathing mode distortions and promote charge transfer between oxygen and Ni cations. This process weakens Ni-O bond disproportionation and Ni2+/Ni4+ charge disproportionation. Such significant modulations in lattice and electronic structure convert the ground state from a charge-disproportionated antiferromagnetic insulator to a paramagnetic metal, thereby suppressing the MIT. This scenario is further supported by the weakened MIT observed in the tensile-strained NSNO/STO(001) films. Our work reveals the A-side doping-modulated electrical transport of perovskite nickelate films, providing deeper insights into novel electric phases in these strongly correlated nickelate systems.

Vanadium-dioxide-assisted multifunctional switchable terahertz metamaterial devices

A multifunctional, switchable terahertz (THz) metamaterial (MM) device with wideband absorption and polarization conversion capabilities has been developed, based on the insulator-metal phase transition of vanadium dioxide (VO2). In its metallic state, the device operates as a wideband absorber within the range of 2.56–6.74 THz, achieving a bandwidth of 4.18 THz and an absorption rate of ≥90%. The wideband absorption is insensitive to both oblique incident angles and polarization. When VO2 is in its insulating state, the device switches to a polarization converter, facilitating linear-to-cross polarization (LTX) conversion between 1.04 and 4 THz, and linear-to-circular polarization (LTC) conversion between 1 and 1.04 THz, with a conversion efficiency exceeding 90%. Additionally, the effects of incident angle and polarization angle on the device’s performance were analyzed. This THz device offers advantages of wide angle, wide bandwidth, and high efficiency, making it a valuable reference for research into new multifunctional THz devices. It has great potential applications in short-range wireless THz communication, ultrafast optical switches, high-temperature resistant switches, transient spectroscopy, and optical polarization control devices. In specific application scenarios, particularly in fields requiring efficient detection, transmission, and analysis—such as security and non-destructive testing, secure communication systems, imaging and sensing, multidimensional spectral analysis, pollutant detection, smart stealth coatings, dynamic optical control devices, and integrated optical systems—these devices offer multifunctional capabilities. They enhance system performance and flexibility, meeting diverse application needs.

Resistivity characteristics near the metal–insulator transition in the half-filled Anderson–Hubbard model

Resistivity characteristics near the metal–insulator transition in the half-filled Anderson–Hubbard model

Latent Electronic (Anti-)Ferroelectricity in BiNiO_{3}.

BiNiO_{3} exhibits an unusual metal-insulator transition from Pnma to P1[over ¯] that is related to charge ordering at the Bi sites, which is intriguingly distinct from the charge ordering at Ni sites usually observed in related rare-earth nickelates. Here, using first principles calculations, we first rationalize the phase transition from Pnma to P1[over ¯], revealing an overlooked intermediate P2_{1}/m bridging phase and a complex interplay between distinct degrees of freedom. Going further, we point out that the charge ordering at Bi sites in the P1[over ¯] phase is not unique. We highlight an alternative polar ordering giving rise to a ferroelectric Pmn2_{1} phase nearly degenerated in energy with P1[over ¯] and showing an in-plane electric polarization of 53 μC/cm^{2} directly resulting from the charge ordering. The close energy of Pmn2_{1} and P1[over ¯] phases, together with low energy barrier between them, make BiNiO_{3} a potential electronic antiferroelectric in which the field-induced transition from nonpolar to polar would relate to nonadiabatic intersite electron transfer. We also demonstrate the possibility to stabilize an electronic ferroelectric ground state from strain engineering in thin films, using an appropriate substrate.

Pseudo-proper two-dimensional electron gas formation

Abstract In spite of the interest in the two-dimensional electron gases (2DEGs) experimentally found at surfaces and interfaces, important uncertainties remain about the observed insulator–metal transitions (IMTs). Here we show how an explicit pseudo-proper coupling of carrier sources with a relevant soft mode significantly affects the transition. The analysis presented here for 2DEGs at polar interfaces is based on group theory, Landau–Ginzburg theory, and illustrated with first-principles calculations for the prototypical case of the LaAlO 3 / SrTiO 3 interface, for which such a structural transition has recently been observed. This direct coupling implies that the appearance of the soft mode is always accompanied by carriers. For sufficiently strong coupling an avalanche-like first-order IMT is predicted.

Non-equilibrium delocalization–localization transition of photons in two coupled microwave cavities

Non-equilibrium delocalization–localization transition of photons in two coupled microwave cavities

Electrical transport properties of topographically demorphed films of La1-xBaxMnO3 grown on (00l)-oriented LaAlO3 substrate via spin-coating method

Herein, the crystal structure, valence, and electrical transport properties of La1-xBaxMnO3 films were examined by preparing La1-xBaxMnO3 films with varying Ba content (x = 0.22, 0.24, 0.26, 0.28) on LaAlO3 substrates using the sol-gel spin coating technique. The La1-xBaxMnO3 films prepared in the study exhibit topographically demorphed and non-dense characteristics in the microstructure, which is mainly caused by the Volmer-Weber growth mode of the films and the volatilization of organic matter during the sol-gel sintering process for films preparation. The increase of Ba doping leads to MnO6 deformation, decrease in grain boundary scattering, increase in Mn4+ ion content, and enhancement of both the double exchange mechanism and the Jahn-Teller effect. The four-probe results showed that the peak resistivity of the films decreased significantly with the increase in Ba2+ doping, and the metal-insulator transition temperature (Tp) shifted to higher temperatures. Peak temperature coefficient of resistivity (TCR) corresponding temperature (Tk) increased from 283.05 K (x = 0.22) to 309.31 K (x = 0.28), which was consistent with the trend of Tp; the peak value of TCR decreased with the increase of Ba doping. When x = 0.24, the Tk of the La1-xBaxMnO3 films reach room temperature (294.25 K) with TCR = 9.01 % K−1. In conclusion, the electrical properties of La1-xBaxMnO3 can be optimized by varying the amount of Ba doping to obtain La1-xBaxMnO3 films with room-temperature Tk and higher TCR values, providing reasonable data support and theoretical explanation for the Ba doping mechanism.

Electronic vs phononic thermal transport in Cr-doped V2O3 thin films across the Mott transition

Understanding the thermal conductivity of chromium-doped V2O3 is crucial for optimizing the design of selectors for memory and neuromorphic devices. We utilized the time-domain thermoreflectance technique to measure the thermal conductivity of chromium-doped V2O3 across varying concentrations, spanning the doping-induced metal–insulator transition. In addition, different oxygen stoichiometries and film thicknesses were investigated in their crystalline and amorphous phases. Chromium doping concentration (0%–30%) and the degree of crystallinity emerged as the predominant factors influencing the thermal properties, while the effect of oxygen flow (600–1400 ppm) during deposition proved to be negligible. Our observations indicate that even in the metallic phase of V2O3, the lattice contribution is the dominant factor in thermal transport with no observable impact from the electrons on heat transport. Finally, the thermal conductivity of both amorphous and crystalline V2O3 was measured at cryogenic temperatures (80–450 K). Our thermal conductivity measurements as a function of temperature reveal that both phases exhibit behavior similar to amorphous materials, indicating pronounced phonon scattering effects in the crystalline phase of V2O3.

What can we learn from the experiment of electrostatic conveyor belt for excitons?

Motivated by the experiment of electrostatic conveyor belt for indirect excitons (Winbowet al2011Phys. Rev. Lett.106196806), we studied the exciton patterns for understanding the exciton dynamics. By analyzing the exciton diffusion, we found that the patterns mainly came from the photoluminescence of two kinds of excitons. The patterns near the laser spot came from the hot excitons which can be regarded as the classical particles. However, the patterns far from the laser spot come from the cooled or coherent excitons. Considering the finite lifetime of Bosonic excitons and of the interactions between them, we built a time-dependent nonlinear Schrödinger equation including the non-Hermitian dissipation to describe the coherent exciton dynamics. The real-time and imaginary-time evolutions were used alternately to solve the Schrödinger equation to simulate the exciton diffusion accompanied by the exciton cooling in the moving lattices. By calculating the escape probability, we obtained the transport distances of the coherent excitons in the conveyor, consistent with the experimental data. The cooling speed of excitons was found to be important in coherent exciton transport. Moreover, the plateau in the average transport distance cannot be explained by the dynamical localization-delocalization transition induced by the disorders.

Strain-oxygen vacancies coupling in topotactic (La,Sr)CoO3-δ thin films

Oxygen defect engineering is a widely used approach for tuning physical properties in oxides. Multivalent transition metal oxide La0.7Sr0.3CoO3-δ (LSCO) shows oxygen vacancy-driven metal-to-insulator transition (MIT) due to topotactic phase transition and its high oxygen vacancy tolerance. Here, we introduce strain as a new degree of freedom to study the strain-oxygen vacancy coupling effects and elucidate its impact on the electronic property in oxygen-deficient LSCO epitaxial thin films grown on SrTiO3 (100) single crystal. By combining the experimental results with density functional theory plus U (DFT+U) calculations, we reveal that 2.1 % in-plane tensile strain can stabilize the insulating state of LSCO with a surprisingly low concentration of oxygen vacancies, <0.5 %. This study reveals that the MIT in LSCO is governed by the combination of oxygen vacancies and strain, offering the potential for additional tuning knob of the material's electronic properties.

Thermochromic properties and surface chemical states of reactive magnetron sputtered vanadium oxide thin films at various deposition pressures

Vanadium oxide thin films were prepared using reactive magnetron sputtering method, varying the deposition pressures from 4 to 10 mTorr while maintaining the other sputtering parameters constant. Our investigations revealed sensitive dependence of deposition pressure, chemical states of the V and O atoms, crystal phases, and thermochromic (TC) optical modulation. Specifically, the film deposited at 8 mTorr displayed distinct TC characteristics with a prevalent monoclinic m-VO2 phase according to X-ray diffraction (XRD), supported by X-ray photoelectron spectroscopy (XPS). Optical transmittance modulation and electrical property measurements revealed a metal–insulator transition (MIT), confirming the intimate connection between TC characteristics and presence of the m-VO2 phase. Films deposited at pressures lower or higher than 8 mTorr exhibited typical semiconductor behavior without TC characteristics, further supported by in situ XRD, where (110) plane shifted to lower angle upon heating above τC. Chemical state analysis by XPS revealed a clear correlation between V−O peaks and the presence of a VO2 phase, with the film deposited at 8 mTorr displaying relatively large peak fitted area indicative of the VO2 phase. These findings highlight the critical and sensitive dependence of the deposition conditions in tailoring the properties of vanadium oxide thin films and provide valuable insights for potential applications in chromogenic films.