Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Unraveling metal-insulator transition mechanism of VO₂ triggered by tungsten doping.

ABSTRACT: Understanding the mechanism of W-doping induced reduction of critical temperature (T(C)) for VO(2) metal-insulator transition (MIT) is crucial for both fundamental study and technological application. Here, using synchrotron radiation X-ray absorption spectroscopy combined with first-principles calculations, we unveil the atomic structure evolutions of W dopant and its role in tailoring the T(C) of VO(2) MIT. We find that the local structure around W atom is intrinsically symmetric with a tetragonal-like structure, exhibiting a concentration-dependent evolution involving the initial distortion, further repulsion, and final stabilization due to the strong interaction between doped W atoms and VO(2) lattices across the MIT. These results directly give the experimental evidence that the symmetric W core drives the detwisting of the nearby asymmetric monoclinic VO(2) lattice to form rutile-like VO(2) nuclei, and the propagations of these W-encampassed nuclei through the matrix lower the thermal energy barrier for phase transition.

SUBMITTER: Tan X

PROVIDER: S-EPMC3381290 | biostudies-other | 2012

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Similar Datasets

Structurally triggered metal-insulator transition in rare-earth nickelates.

Project description:Rare-earth nickelates form an intriguing series of correlated perovskite oxides. Apart from LaNiO3, they exhibit on cooling a sharp metal-insulator electronic phase transition, a concurrent structural phase transition, and a magnetic phase transition toward an unusual antiferromagnetic spin order. Appealing for various applications, full exploitation of these compounds is still hampered by the lack of global understanding of the interplay between their electronic, structural, and magnetic properties. Here we show from first-principles calculations that the metal-insulator transition of nickelates arises from the softening of an oxygen-breathing distortion, structurally triggered by oxygen-octahedra rotation motions. The origin of such a rare triggered mechanism is traced back in their electronic and magnetic properties, providing a united picture. We further develop a Landau model accounting for the metal-insulator transition evolution in terms of the rare-earth cations and rationalizing how to tune this transition by acting on oxygen rotation motions.

| S-EPMC5700091 | biostudies-literature

Decoupling the metal insulator transition and crystal field effects of VO2.

Project description:VO2 is a highly correlated electron system which has a metal-to-insulator transition (MIT) with a dramatic change of conductivity accompanied by a first-order structural phase transition (SPT) near room temperature. The origin of the MIT is still controversial and there is ongoing debate over whether an SPT induces the MIT and whether the Tc can be engineered using artificial parameters. We examined the electrical and local structural properties of Cr- and Co-ion implanted VO2 (Cr-VO2 and Co-VO2) films using temperature-dependent resistance and X-ray absorption fine structure (XAFS) measurements at the V K edge. The temperature-dependent electrical resistance measurements of both Cr-VO2 and Co-VO2 films showed sharp MIT features. The Tc values of the Cr-VO2 and Co-VO2 films first decreased and then increased relative to that of pristine VO2 as the ion flux was increased. The pre-edge peak of the V K edge from the Cr-VO2 films with a Cr ion flux ≥ 1013 ions/cm2 showed no temperature-dependent behavior, implying no changes in the local density of states of V 3d t2g and eg orbitals during MIT. Extended XAFS (EXAFS) revealed that implanted Cr and Co ions and their tracks caused a substantial amount of structural disorder and distortion at both vanadium and oxygen sites. The resistance and XAFS measurements revealed that VO2 experiences a sharp MIT when the distance of V-V pairs undergoes an SPT without any transitions in either the VO6 octahedrons or the V 3d t2g and eg states. This indicates that the MIT of VO2 occurs with no changes of the crystal fields.

| S-EPMC7862372 | biostudies-literature

Coexistent VO2 (M) and VO2 (B) Polymorphous Thin Films with Multiphase-Driven Insulator-Metal Transition.

Project description:Reversible insulator-metal transition (IMT) and structure phase change in vanadium dioxide (VO2) remain vital and challenging with complex polymorphs. It is always essential to understand the polymorphs that coexist in desired VO2 materials and their IMT behaviors. Different electrical properties and lattice alignments in VO2 (M) and VO2 (B) phases have enabled the creation of versatile functional devices. Here, we present polymorphous VO2 thin films with coexistent VO2 (M) and VO2 (B) phases and phase-dependent IMT behaviors. The presence of VO2 (B) phases may induce lattice distortions in VO2 (M). The plane spacing of (011)M in the VO2 (M) phase becomes widened, and the V-V and V-O vibrations shift when more VO2 (B) phase exists in the VO2 (M) matrix. Significantly, the coexisting VO2 (B) phases promote the IMT temperature of the polymorphous VO2 thin films. We expect that such coexistent polymorphs and IMT variations would help us to understand the microstructures and IMT in the desired VO2 materials and contribute to advanced electronic transistors and optoelectronic devices.

| S-EPMC10180398 | biostudies-literature

Tunable resistivity of correlated VO2(A) and VO2(B) via tungsten doping.

Project description:Applications of correlated vanadium dioxides VO2(A) and VO2(B) in electrical devices are limited due to the lack of effective methods for tuning their fundamental properties. We find that the resistivity of VO2(A) and VO2(B) is widely tunable by doping them with tungsten ions. When x < 0.1 in V1-xWxO2(A), the resistivity decreases drastically by four orders of magnitude with increasing x, while that of V1-xWxO2(B) shows the opposite behaviour. Using spectroscopic ellipsometry and X-ray photoemission spectroscopy, we propose that correlation effects are modulated by either chemical-strain-induced redistribution of V-V distances or electron-doping-induced band filling in V1-xWxO2(A), while electron scattering induced by disorder plays a more dominant role in V1-xWxO2(B). The tunable resistivity makes correlated VO2(A) and VO2(B) appealing for next-generation electronic devices.

| S-EPMC7297976 | biostudies-literature

The influence of structural disorder and phonon on metal-to-insulator transition of VO 2.

Project description:We used temperature-dependent x-ray absorption fine structure (XAFS) measurements to examine the local structural properties around vanadium atoms at the V K edge from VO2 films. A direct comparison of the simultaneously-measured resistance and XAFS regarding the VO2 films showed that the thermally-driven structural transition occurred prior to the resistance transition during a heating, while this change simultaneously occured during a cooling. Extended-XAFS (EXAFS) analysis revealed significant increases of the Debye-Waller factors of the V-O and V-V pairs in the {111} direction of the R-phase VO2 that are due to the phonons of the V-V arrays along the same direction in a metallic phase. The existance of a substantial amount of structural disorder on the V-V pairs along the c-axis in both M1 and R phases indicates the structural instability of V-V arrays in the axis. The anomalous structural disorder that was observed on all atomic sites at the structural phase transition prevents the migration of the V 3d1 electrons, resulting in a Mott insulator in the M2-phase VO2.

| S-EPMC5666023 | biostudies-literature

Investigating Metal⁻Insulator Transition and Structural Phase Transformation in the (010)-VO₂/(001)-YSZ Epitaxial Thin Films.

Project description:The VO₂ thin films with sharp metal⁻insulator transition (MIT) were epitaxially grown on (001)-oriented Yttria-stabilized zirconia substrates (YSZ) using radio-frequency (RF) magnetron sputtering techniques. The MIT and structural phase transition (SPT) were comprehensively investigated under in situ temperature conditions. The amplitude of MIT is in the order of magnitude of 10⁴, and critical temperature is 342 K during the heating cycle. It is interesting that both electron concentration and mobility are changed by two orders of magnitude across the MIT. This research is distinctively different from previous studies, which found that the electron concentration solely contributes to the amplitude of the MIT, although the electron mobility does not. Analysis of the SPT showed that the (010)-VO₂/(001)-YSZ epitaxial thin film presents a special multi-domain structure, which is probably due to the symmetry matching and lattice mismatch between the VO₂ and YSZ substrate. The VO₂ film experiences the SPT from the M1 phase at low temperature to a rutile phase at a high temperature. Moreover, the SPT occurs at the same critical temperature as that of the MIT. This work may shed light on a new MIT behavior and may potentially pave the way for preparing high-quality VO₂ thin films on cost-effective YSZ substrates for photoelectronic applications.

| S-EPMC6163228 | biostudies-literature

Metal-insulator transition tuned by oxygen vacancy migration across TiO2/VO2 interface.

Project description:Oxygen defects are essential building blocks for designing functional oxides with remarkable properties, ranging from electrical and ionic conductivity to magnetism and ferroelectricity. Oxygen defects, despite being spatially localized, can profoundly alter global properties such as the crystal symmetry and electronic structure, thereby enabling emergent phenomena. In this work, we achieved tunable metal-insulator transitions (MIT) in oxide heterostructures by inducing interfacial oxygen vacancy migration. We chose the non-stoichiometric VO2-δ as a model system due to its near room temperature MIT temperature. We found that depositing a TiO2 capping layer on an epitaxial VO2 thin film can effectively reduce the resistance of the insulating phase in VO2, yielding a significantly reduced ROFF/RON ratio. We systematically studied the TiO2/VO2 heterostructures by structural and transport measurements, X-ray photoelectron spectroscopy, and ab initio calculations and found that oxygen vacancy migration from TiO2 to VO2 is responsible for the suppression of the MIT. Our findings underscore the importance of the interfacial oxygen vacancy migration and redistribution in controlling the electronic structure and emergent functionality of the heterostructure, thereby providing a new approach to designing oxide heterostructures for novel ionotronics and neuromorphic-computing devices.

| S-EPMC7596522 | biostudies-literature

Understanding of metal-insulator transition in VO2 based on experimental and theoretical investigations of magnetic features.

Project description:The metal-insulator transition temperature Tc in VO2 is experimentally shown to be almost the same as a magnetic transition temperature Tm characterized by an abrupt decrease in susceptibility, suggesting the evidence of the same underlying origin for both transitions. The measurement of susceptibility shows that it weakly increases on cooling for temperature range of T > Tm, sharply decreases near Tm and then unusually increases on further cooling. A theoretical approach for such unusual observations in susceptibility near Tm or below is performed by modeling electrons from each two adjacent V4+ ions distributed along V-chains as a two-electron system, which indicates that the spin exchange between electrons could cause a level splitting into a singlet (S = 0) level of lower energy and a triplet (S = 1) level of higher energy. The observed abrupt decrease in susceptibility near Tm is explained to be due to that the sample enters the singlet state in which two electrons from adjacent V4+ ions are paired into dimers in spin antiparallel. By considering paramagnetic contribution of unpaired electrons created by the thermal activation from singlet to triplet levels, an expression for susceptibility is proposed to quantitatively explain the unusual temperature-dependent susceptibility observed at low temperatures. Based on the approach to magnetic features, the observed metal-insulator transition is explained to be due to a transition from high-temperature Pauli paramagnetic metallic state of V4+ions to low-temperature dimerized state of strong electronic localization.

| S-EPMC6244010 | biostudies-literature

Temperature-dependent infrared ellipsometry of Mo-doped VO2 thin films across the insulator to metal transition.

Project description:We present a spectroscopic ellipsometry study of Mo-doped VO2 thin films deposited on silicon substrates for the mid-infrared range. The dielectric functions and conductivity were extracted from analytical fittings of Ψ and Δ ellipsometric angles showing a strong dependence on the dopant concentration and the temperature. Insulator-to-metal transition (IMT) temperature is found to decrease linearly with increasing doping level. A correction to the classical Drude model (termed Drude-Smith) has been shown to provide excellent fits to the experimental measurements of dielectric constants of doped/undoped films and the extracted parameters offer an adequate explanation for the IMT based on the carriers backscattering across the percolation transition. The smoother IMT observed in the hysteresis loops as the doping concentration is increased, is explained by charge density accumulation, which we quantify through the integral of optical conductivity. In addition, we describe the physics behind a localized Fano resonance that has not yet been demonstrated and explained in the literature for doped/undoped VO2 films.

| S-EPMC7244498 | biostudies-literature

Insulator-to-half metal transition and enhancement of structural distortions in [Formula: see text] double perovskite oxide via hole-doping.

Project description:Using density functional theory calculations, we found that recently high-pressure synthesized double perovskite oxide [Formula: see text] exhibits ferrimagnetic (FiM) Mott-insulating state having an energy band gap of 0.20 eV which confirms the experimental observations (Feng et al. in Inorg Chem 58:397-404, 2019). Strong antiferromagnetic superexchange interactions between high-energy half-filled [Formula: see text]-[Formula: see text] and low-energy partially filled [Formula: see text] orbitals, results in a FiM spin ordering. Besides, the effect of 3d transition metal (TM = Cr, Mn, and Fe) doping with 50% concentration at Ni sites on its electronic and magnetic properties is explored. It is established that smaller size cation-doping at the B site enhances the structural distortion, which further gives strength to the FiM ordering temperature. Interestingly, our results revealed that all TM-doped structures exhibit an electronic transition from Mott-insulating to a half-metallic state with effective integral spin moments. The admixture of Ir 5d orbitals in the spin-majority channel are mainly responsible for conductivity, while the spin minority channel remains an insulator. Surprisingly, a substantial reduction and enhancement of spin moment are found on non-equivalent Ir and oxygen ions, respectively. This leads the Ir ion in a mixed-valence state of [Formula: see text] and [Formula: see text] in all doped systems having configurations of [Formula: see text] ([Formula: see text]) and [Formula: see text] ([Formula: see text]), respectively. Hence, the present work proposes that doping engineering with suitable impurity elements could be an effective way to tailor the physical properties of the materials for their technological potential utilization in advanced spin devices.

| S-EPMC7806915 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data