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[IEEE 2018 IEEE ISAF-FMA-AMF-AMEC-PFM Joint Conference (IFAAP) - Hiroshima (2018.5.27-2018.6.1)] 2018 IEEE ISAF-FMA-AMF-AMEC-PFM Joint Conference (IFAAP) - Control of Leakage Current through BaTiO<inf>3</inf> Film by Cumulative Cycle of Applied Voltage Scanning for ReRAM or Neuromorphic Application
摘要： We found a new phenomenon that shows a large change in leakage current through BaTiO3 (BTO) film with the maximum ratio of 107 to 109 observed in this work by changing cumulative cycle of voltage scan applied on the film capacitor. These leakage phenomena are thought to depend on several factors such as BTO film thickness, concentration of Vo+, bias voltage, its sweep rate and so on, because trapping/detrapping of carrier electron into/from oxygen vacancy would be a competition dependent on their rates and concentrations. These results imply that the leakage current can be controlled by some sequences or protocols of applied voltage scan, leading to use for ReRAM or neuromorphic applications.
关键词： ReRAM,leakage current,resistive switching,BaTiO3,oxygen vacancy
更新于2025-09-23 15:23:52
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Symmetry and thermodynamics of tellurium vacancies in cadmium telluride
摘要： The equilibrium geometries and thermodynamic properties of anion vacancies in cadmium telluride, as predicted by density functional theory, are revisited using semilocal and hybrid density functionals. We find that stable configurations in different charge states can only be found after a systematic search considering several starting geometries. The stable charge states, 0 and 2+, display closed-shell electronic configurations, without deep bandgap levels. The 2+ charge state has a Td symmetry with an outward relaxation, while the neutral state is a mixture of configurations with C2v and C3v symmetries, both with the same energy and a negligible energy barrier. Therefore, the neutral charge state presents an effective Td symmetry. Configurations with different symmetries, e.g., D2d, can exist as metastable states. We show that certain configurations may seem falsely stable due to several facts: the bandgap error of generalized gradient approximation, the k-point sampling used in small supercells, or the use of a restricted set of starting geometries. We believe that the HSE06 hybrid functional allows to obtain accurate formation energies and geometries. We analyze the effect of the spin-orbit coupling and GW quasiparticle corrections to the HSE06 results, and find no qualitative differences. The spin-orbit coupling and GW corrections to the HSE06 energies partially cancel each other. Finally, we investigate the divacancy VCdVTe. The obtained formation energies suggest that isolated tellurium vacancies in neutral charge state can be found only in Te-poor growth conditions, coexisting with divacancies.
关键词： CdTe,defects,vacancy,cadmium telluride
更新于2025-09-23 15:23:52
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Local structural changes due to the electric field-induced migration of oxygen vacancies at Fe-doped SrTiO <sub/>3</sub> interfaces
摘要： We report on our study of dc voltage-induced structural changes at reduced and oxidized Fe-doped SrTiO3 (Fe:STO) electrode interfaces using second harmonic generation (SHG) together with photoluminescence (PL) method. We show that oxygen vacancy defects play a critical role in determining the local electrical and structural properties of interfacial depletion regions at Schottky junctions. The SHG results show that the dc electric field causes oxygen ions and vacancies to displace toward the anode and cathode in the low field regime, respectively. This process forms electrostrictive distortions within local interfacial depletion regions which are described by Fe:Ti-O bond stretching and bending. Differences in the EFISHG responses from the oxidized and reduced crystal interfaces are explained according to local oxygen vacancy concentrations and dynamics and their effects on the Schottky barrier heights and depletion region widths at each interface. These results are further supported by our PL measurements. Oxygen ion migration towards the Fe:STO surface leads to enhanced fluorescence intensities from in-gap acceptor states. We demonstrate that SHG and PL measurements are well suited for understanding and resolving the underlying causes of dielectric breakdown processes and device failure brought on by dc electric field and ionic defect migrations in perovskite-type electroceramics.
关键词： Photoluminescence,Oxygen Vacancy,Electroceramic,Second Harmonic Generation
更新于2025-09-23 15:23:52
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Removal of tetracycline by BiOBr microspheres with oxygen vacancies: Combination of adsorption and photocatalysis
摘要： Oxygen vacancy-containing BiOBr microspheres with dual functions of adsorption-photocatalysis were synthesized by a simple solvothermal method. The as-prepared samples were characterized by X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM), X-ray photoelectron spectroscopy (XPS), electron paramagnetic resonance spectroscopy (EPR) and UV–vis diffuse reflectance spectroscopy (DRS). BiOBr microspheres with oxygen vacancies exhibited a higher adsorptive and photocatalytic activity for the removal of tetracycline (TC) than that of defect-deficient BiOBr microspheres. After adsorption for 30 min and visible light irradiation for 90 min, about 94 % of TC was removed by oxygen vacancy-containing BiOBr microspheres, and TC removal efficiency performed effectively in a wide pH range from 3.1 to 11.00. Almost all inorganic anions, such as Cl?, SO2?4, PO3?4, CO2?3 and NO?3, inhibited the removal of TC by BiOBr microspheres and their inhibition effects followed the order of PO3?4 > SO2?4 > CO2?3 > Cl? > NO?3. The surface hydroxyl groups had no effect on TC adsorption, and the adsorption of TC on BiOBr was mainly through the anion exchange process. The existence of oxygen vacancies facilitated the generation of superoxide radicals (O2??), which were the dominant reactive oxygen species for TC degradation in BiOBr suspension. The adsorptive and photocatalytic performance of oxygen vacancy-containing BiOBr decreased to different degrees after three cycles mainly due to the formation of surface complex.
关键词： Mechanism,Photocatalysis,Oxygen vacancy,Adsorption,BiOBr microspheres,Tetracycline
更新于2025-09-23 15:23:52
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Improved charge separation of NiS nanoparticles modified defect-engineered black TiO2 hollow nanotubes for boosting solar-driven photocatalytic H2 evolution
摘要： NiS nanoparticles (NPs) modified black TiO2 hollow nanotubes (NBTNs) are successfully synthesized via surface hydrogenation and facile solvothermal method. The unique structure with intensified surface and interface characteristic endow NBTNs with more catalytic sites, and increase charge carrier separation efficiency with a extended charge lifetime, overwhelmingly promoting its photocatalytic performance. The resultant NBTNs possess a relatively high surface area and pore size of ~89 m2 g-1 and ~9.8 nm, respectively. The resultants NBTNs exhibit an excellent solar-driven photocatalytic hydrogen rate (3.17 mmol h-1 g-1), which almost as high as that of Pt as cocatalyst, in which the apparent quantum (AQE) yield of 5.4 % (420 nm) is recorded for the NBTNs sample. Moreover, the turnover number (TON) can be up to 116000 within 48 h. And the turnover frequency (TOF) is 2400 for NiS. This novel strategy could provide a better understanding of cocatalyst photocatalytic mechanism, and a scheme simultaneously regulating the morphology and structure of photocatalyst for promoting H2 generation.
关键词： Mesoporous TiO2 nanotube,Oxygen vacancy defect,NiS cocatalyst,Photocatalysis,Ti3+ self-doping
更新于2025-09-23 15:23:52
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Strongly anisotropic spin relaxation in the neutral silicon vacancy center in diamond
摘要： Color centers in diamond are a promising platform for quantum technologies, and understanding their interactions with the environment is crucial for these applications. We report a study of spin-lattice relaxation (T1) of the neutral charge state of the silicon vacancy center in diamond. Above 20 K, T1 decreases rapidly with a temperature-dependence characteristic of an Orbach process and is strongly anisotropic with respect to magnetic-field orientation. As the angle of the magnetic field is rotated relative to the symmetry axis of the defect, T1 is reduced by over three orders of magnitude. The electron spin coherence time (T2) follows the same temperature dependence but is drastically shorter than T1. We propose that these observations result from phonon-mediated transitions to a low-lying excited state that are spin conserving when the magnetic field is aligned with the defect axis, and we discuss likely candidates for this excited state.
关键词： anisotropy,spin relaxation,quantum technologies,diamond,silicon vacancy center,Orbach process
更新于2025-09-23 15:23:52
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High-sensitivity three-axis vector magnetometry using the electron spin ensembles in single diamond
摘要： We demonstrate a three-axis vector magnetometer based on ensembles of negatively charged nitrogen vacancy centers in single-crystal diamond. Diamond with C3v symmetry was used to establish the coordinate system for vector magnetic field sensing. We control the external static magnetic field with three-axis Helmholtz coils. Four pairs of magnetic resonance peaks were obtained, which were used to calculate the three Cartesian components of the magnetic field with sensitivity of ~5 nT/√Hz for each Cartesian component, free of interaxis error. The magnetometer is suitable for single-chip manufacturing.
关键词： Nitrogen-Vacancy (NV) centers,ensemble,diamond,Magnetometry
更新于2025-09-23 15:22:29
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Enhanced Solar Conversion of CO <sub/>2</sub> to CO Using Mn-doped TiO <sub/>2</sub> Based on Photo-thermochemical Cycle
摘要： Photo-thermochemical cycle (PTC) is a promising method to converting CO2 to solar fuels. To study the mechanism of CO2 reduction based on PTC, sol-gel synthesized titanium dioxide (ST) and Mn-doped TiO2 (MT) films were produced and applied to the PTC under simulated solar light irradiation. Commercial P25 (PT) was used as a reference. Experiments show that Mn-doped TiO2 produced more CO than undoped TiO2 and P25. The average CO production of 1.0 wt% MT by the PTC was 32.19 μmol?m?2?h?1, 4.36 times than that of ST and 3.63 times that of PT. Various characterization methods were conducted to investigated the effect of Mn ions doping on the photo-response and charge transfer of samples. Density functional theory (DFT) calculations were also performed to verify the analysis and enhance the PTC mechanism. In conclusion, several key factors that Mn ions promote CO2 conversion have been clarified.
关键词： Oxygen vacancy,Mn doping,DFT calculation,CO2 reduction,Photo-thermochemical cycle
更新于2025-09-23 15:22:29
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Hierarchical porous TiO2 single crystals templated from partly glassified polystyrene
摘要： Hierarchical macro-mesoporous anatase TiO2 single crystal is one-pot synthesized in an EtOH-H2O system using polystyrene (PS) as the single porogen both for macropore and mesopore and TiF4 as the titanium precursor. The key to the simultaneous growth of single crystal and the introduction of hierarchical pores is the assembly of PS and titania at the glassification temperature of PS (100 °C). During the hydrolytic polymerization of TiF4, PS is encapsulated inside titania and gradually glassified. The interference from elastic PS on the oriental growth of TiO2 crystallite is thus minimized and the final removal of PS through calcination leaves interconnected macropore and mesopore inside the single crystal. According to XPS, EPR and fluorescence analyses, abundant oxygen vacancies are formed on the hierarchical porous single crystal, which presents extraordinary photocatalytic activity and stability in degrading organic pollutants under simulated sunlight irradiation using Rhodamine B as the model. The improved photocatalytic activity is a synergistic effect of improved separation of charge carrier and facilitated interfacial charge transfer benefitting from highly accessible porous single crystal structure.
关键词： Oxygen vacancy,Photocatalysis,Single crystal,Charge transfer,Hierarchical porous TiO2
更新于2025-09-23 15:22:29
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A study of surface diffusion of ternary (Cu-Ag-Zr) adatoms clusters for applications in thin film formation
摘要： This study presents the diffusion of heterogeneous ternary (Cu‐Ag‐Zr) adatoms clusters on Ag(111) using molecular dynamics techniques which could be important for the surface phenomena's and helpful for the ternary cluster's growth and formation of ternary alloy‐based thin films. The mechanism of nanoscale surface diffusion is investigated for 1Cu‐1Ag‐1Zr, 2Cu‐2Ag‐2Zr, 3Cu‐3Ag‐3Zr, and 4Cu‐4Ag‐4Zr clusters at temperatures 300, 500, and 700 K. The diffusion mechanism displays that the diffusion of trimer cluster exhibits hopping, sliding, and shearing at 300 K, whereas for hexamer, nonamer, and decamer, the diffusion rate is low; however, breathing, anchoring, and concentrated motion dominates. At 500 K, trimer and hexamer show the process of atomic exchange; however, the atomic exchange is not observed in the case of nonamer and decamer diffusion. The atomic exchange mechanism of Cu and Zr adatoms dominates at 700 K for all size clusters, except Ag adatoms, where Zr adatoms show a relatively more tendency. Separation and rejoining of the one and two adatoms (likely Zr adatom) are also witnessed at high temperature. The pop‐up of Ag adatoms also occurs in very short intervals over the remaining adatoms of clusters. Interestingly, during trimer diffusion, the adsorption of the Zr‐ or Cu‐adatom among the trimer cluster into the substitutional site is found. At 700 K, vacancy generation, filling of vacancies, and migration of vacancy, in the neighborhood of the adatoms cluster, also observed. Moreover, the rate of diffusion decreases with the size increase of the clusters and increases with the increase in temperature.
关键词： molecular dynamics,adatoms clusters,vacancy diffusion,surface diffusion
更新于2025-09-23 15:22:29