Related papers: Disorder-induced electron and hole trapping in amo…
The electronic band structure of cubic HfO2 is calculated using an it ab initio all-electron self--consistent linear augmented plane-wave method, within the framework of the local-density approximation and taking into account…
This study reports on the optical, structural, and dielectric properties of aluminum tantalum oxide (Al$_x$Ta$_y$O$_z$) thin films deposited at low temperature on silicon and steel substrates by pulsed direct current reactive magnetron…
We realize laser cooling and trapping of titanium (Ti) atoms in a mangeto-optical trap (MOT). While Ti does not possess a transition suitable for laser cooling out of its $\mathrm{3d^24s^2}$ $\mathrm{a^3F}$ ground term, there is such a…
The present work is essentially focused on the study of optical and structural properties of hydrogenated amorphous silicon thin films (a-Si:H) prepared by radio-frequency cathodic sputtering. We examine separately the influence of hydrogen…
First-principles density functional theory calculations were carried out to determine the low energy geometries of anatase TiO$_2$(001) with Pt implants in the sublayers as substitutional and interstitial impurities as well as on the…
Using density-functional theory calculations within the generalized gradient corrected approximation, the models that nonmetallic impurities X substituted for O or Ti sites in anatase TiO2 were investigated. The conclusion of the valence…
We study from first-principles the structural and electronic properties of head-to-head (HH) and tail-to-tail (TT) 180$^\circ$ domain walls in isolated free-standing PbTiO$_{3}$ slabs. For sufficiently thick domains ($n$ = 16 unit cells of…
We investigate band gaps, equilibrium structures, and phase stabilities of several bulk polymorphs of wide-gap oxide semiconductors ZnO, TiO2,ZrO2, and WO3. We are particularly concerned with assessing the performance of hybrid functionals…
Physics based numerical simulation has been carried out to probe the sub-gap density of states (DOS) and underlying electron transport properties of amorphous oxide based thin film transistors (TFTs). The DOS model of TFTs consists of…
In this work we study the optoelectronic properties of individual TiO2 fibres produced through coupled sol-gel and electrospinning, by depositing them onto pre-patterned Ti/Au electrodes on SiO2/Si substrates. Transport measurements in the…
The recent emergence of topological insulators (TI) has spurred intensive efforts to grow TI thin films on various substrates. However, little is known about how robust the topological surface states (TSS) are against disorders and other…
We have determined the electronic and atomic structure of N doped TiO2 using a combination of hard x-ray photoelectron spectroscopy (HAXPES) and first- principles density functional theory calculations. Our results reveal that N doping of…
Electrides, with their excess electrons distributed in crystal cavities playing the role of anions, exhibit a variety of unique electronic and magnetic properties. In this work, we employ the first-principles crystal structure prediction to…
Ion acoustic (IA) solitons are accompanied by vortex-shaped nonlinear structures (e.g. hollows, plateaus or humps) in the electron distribution function, called electron holes, portraying trapped electrons. These structures appear as…
In LaAlO3/SrTiO3 heterostructures, a commonly observed but poorly understood phenomenon is that of electron trapping in back-gating experiments. In this work, by combining magnetotransport measurements and self-consistent…
We report a theoretical study of the effects of electron correlations and structural confinement on the electronic properties and magnetic state of LaNiO3 (LNO) thin films epitaxially deposited on the (001) LaAlO3 (LAO) substrate. Using the…
Recent theoretical studies of amorphous silicon [Y. Pan et al. Phys. Rev. Lett. 100 206403 (2008)] have revealed subtle but significant structural correlations in network topology: the tendency for short (long) bonds to be spatially…
This paper presents the effect of different cooling rate after annealing on structural and electrical properties of TiO2 thin films. Titanium dioxide thin film was deposited on a silicon substrate using DC magnetron technique. After…
The development of new electrochromic materials and devices, like smart windows, has an enormous impact on the energy efficiency of modern society. One of the crucial materials in this technology is nickel-oxide. Ni-deficient NiO shows…
Titanium dioxide (TiO2) is a key material in optoelectronic and energy conversion technologies, including solar cells and photocatalysis. However, integrating TiO2 into flexible or temperature-sensitive devices requires deposition…