Related papers: Engineering Electrochromism in Ni-Deficient NiO th…

In this paper, Ni-doped ZnO films were grown on a p-type silicon substrate via spray pyrolysis. The Ni dopant concentrations were varied by adjusting the weight ratio between Zinc Acetate Dehydrate (ZAD) and Nickel Chloride Hexahydrate…

To realize the creation of advanced multifunctional materials in energy storage and conversion technologies, the present research evaluates the structural, electronic, magnetic, thermodynamic, mechanical, thermoelectric, piezoelectric and…

Using density functional theory (DFT), this work explores barium zirconate doped with nitrogen. In addition, we used density functional theory (DFT) to study the BaZrO$_3$'s electrical, optical, and structural properties, and we found that…

The roles of oxygen vacancies on the electronic and magnetic properties of Ni doped In$_2$O$_3$ have been studied by first-principles calculations based on hybrid functional theory. Our results predict that the Ni-doped In$_2$O$_3$ system…

Local and long range structure, optical and photoluminescence properties of sol-gel synthesized Ce1-xNixO2 nanostructures have been studied. The crystal structure, lattice strain and crystallite size have been analyzed. A decrease in…

Control of dopants in silicon remains the most important approach to tailoring the properties of electronic materials for integrated circuits, with Group V impurities the most important n-type dopants. At the same time, silicon is finding…

Stoichiometric SiNx layers (x = [N]/[Si] = 1.33) are doped with Si atoms by ultra-low energy ion implantation (ULE-II) and subsequently annealed at different temperatures in inert ambient conditions. Detailed material and memory cells…

The formation energies and electronic structure of europium doped zinc oxide has been determined using DFT and many-body $GW$ methods. In the absence of intrisic defects we find that the europium-$f$ states are located in the ZnO band gap…

The formation and electronic properties of nitrogen-related defect complexes in $\beta-Ga_2O_3$ are investigated using first-principles calculations. Starting from the energetically favorable $N_{i9}-N_{OI}$ configuration, nitrogen atoms…

Crystallographic shear phases of niobium oxide form an interesting family of compounds that have received attention both for their unusual electronic and magnetic properties, as well as their performance as intercalation electrode materials…

Although zinc oxide is a promising material for the fabrication of short wavelength optoelectronic devices, p-type doping is a step that remains challenging for the realization of diodes. Out of equilibrium methods such as ion implantation…

The similarities and differences between hole- and electron-doped cuprates are central to studies of high-temperature superconductivity. While electronic nematicity is found to be pervasive in hole-doped cuprates, iron-based…

Alloying and doping are crucial for enhancing the electronic and optical properties of semiconductors while simultaneously introducing disorder. This report explores the effects of alloying and Si (0.5 at.\%) doping on…

This study investigates the novelty of the crystalline and electronic structure of (Mg,Ti)-doped ZnO and the co-doped Zn1-x-yMgxTiyO structures using Gaussian and plane-wave basis sets, as implemented in the CP2K code. The goal of…

Sn$_{0.97-y}$Co$_{0.03}$Ni$_{y}$O$_{2}$ (0 $\leq y \leq$ 0.04) nanocrystals, with average crystallite size in the range of 7.3 nm ($y$=0.00) to 5.6 nm ($y$=0.04), have been synthesized using pH-controlled chemical co-precipitation…

TiO$_2$ and SrTiO$_3$ are well known materials in the field of photocatalysis due to their exceptional electronic structure, high chemical stability, non-toxicity and low cost. However, owing to the wide band gap, these can be utilized only…

We performed a resonant inelastic X-ray scattering (RIXS) study of La$_{2-x}$Sr$_{x}$NiO$_{4+{\delta}}$ (LSNO) at the oxygen $K$ edge to investigate the nature of the doped holes with regard to charge excitations. Charge excitations of the…

Charge doping is an effective way to induce metal-insulate transition (MIT) in correlated materials for many important utilizations, which is however practically limited by problem of low stability. In this study, we have achieved…

LDA+DMFT method in the framework of the iterative perturbation theory (IPT) with full LDA Hamiltonian without mapping onto the effective Wannier orbitals. We then apply this LDA+DMFT method to ferromagnetic bcc-Fe and fcc-Ni as a test of…

Accurate high-energy electron diffraction measurements of structure factors of NiO have been carried out to investigate how strong correlations in the Ni 3d shell affect electron charge density in the interior area of nickel ions and…