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Using isothermal and temperature-dependent electrical measurements, we investigated the resistive switching mechanism of amorphous titanium oxide thin films deposited by a plasma-enhanced atomic layer deposition method between two aluminum…
In hydrogenated amorphous silicon oxide (a-SiO:H) films, incorporation of oxygen enhances optical gap due to a large number of St-O-Si bond formation, which lies deep into valence band states. An induction effect of this Si-O on other bonds…
Ti2O3 exhibits a unique metal-insulator transition (MIT) at approximately 450 K over a wide temperature range of ~ 150 K. This broad MIT accompanied by lattice deformation differs from the sharp MITs observed in most other transition-metal…
The behaviour of excess charges in ionic lattices, such as the formation of polarons and charge trapping at defect sites, influences the physical and chemical properties of materials and translates into applications in electronics, optics,…
A topological insulator possesses a bulk energy gap splitting the lowest empty band from the highest occupied electronic band. The electronic states at the surface (or edge in two dimensions), on the other hand, of a topological insulator…
We propose a systematic approach to obtain various forms of insulating titanium oxynitrides Ti$_{n}$N$_{2}$O$_{2n-3}$ and we conduct a detailed study on its $n=2$ case, Ti$_{2}$N$_{2}$O. We study the energetics and the electronic structures…
The anomalous Hall effect (AHE), a hallmark of time-reversal symmetry breaking, has been reported in rutile RuO2, a debated metallic altermagnetic candidate. Previously, AHE in RuO2 was observed only in strain-relaxed thick films under…
We perform first-principles calculations to investigate the band structure, density of states, optical absorption, and the imaginary part of dielectric function of Cu, Ag, and Au-doped anatase TiO2 in 72 atoms systems. The electronic…
Titanium dioxide is one of the most widely used wide bandgap materials. However, the TiO2 deposited on a substrate is not always transparent leading to a loss in efficiency of the device, especially, the photo response. Herein, we show that…
It is shown that 532 nm and 1064 nm laser photoexcitation of trapped electrons generated by 355 nm photolysis of aqueous titania (TiO2) nanoparticles causes rapid photobleaching of their absorbance band in the visible and near IR. This…
We present a study on the crystallization process of undoped and Ta doped TiO2 amorphous thin films. In particular, the effect of ultra-fast annealing treatments in environments characterized by different oxygen concentrations is…
Electron dynamics of anatase TiO$_2$ under the influence of ultrashort and intense laser field is studied using the real-time time-dependent density functional theory (TDDFT). Our findings demonstrate the effectiveness of TDDFT calculations…
Classical molecular-dynamics simulations have been carried out to investigate densification mechanisms in silicon dioxide thin films deposited on an amorphous silica surface, according to a simplified ion-beam assisted deposition (IBAD)…
Amorphous oxide thin films play a fundamental role in state-of-the art interferometry experiments, such as gravitational wave detectors where these films compose the high reflectance mirrors of end and input masses. The sensitivity of these…
Thermopower (S) for anatase TiO2 epitaxial films (n3D: 1E17-1E21 /cm3) and the gate voltage (Vg) dependence of S for thin film transistors (TFTs) based on TiO2 films were investigated to clarify the electronic density of states (DOS) around…
Electronic properties and atomic structures of W, N, S, W/N, and W/S dopings of anatase TiO_2 have been systematically investigated using the density functional theory (DFT). The exchange and correlation effects have been treated with Heyd,…
Nanostructured TiO2 thin films were prepared by pulsed laser deposition (PLD) on indium doped tin oxide (ITO) substrates. Results from X-ray photoelectron spectroscopy (XPS) show that Ti 2p core level peaks shift toward the lower binding…
The genomics approach to materials, heralded by increasingly accurate density functional theory (DFT) calculations conducted on thousands of crystalline compounds, has led to accelerated material discovery and property predictions. However,…
The optical properties of thermally annealed TiO2 samples depend on their preparation process, and the TiO2 thin films usually exist in the form of anatase or rutile or the mixture of the two phases. The electronic structures and optical…
Titanium dioxide materials have been studied intensively and extensively due to photocatalytic applications. A long-standing open question is the energy band alignment of rutile and anatase TiO2 phases, which can affect the photocatalytic…