Fabrication of organohalide perovskite materials on the top ZnO nanoparticles (NPs) has some beneficial advantages such as room temperature processing; however, is not stable NPs layer during annealing process. In fact, there are only a few reports about fabrication solar cells layer. Herein, decomposition mechanism CH 3 NH PbI reported, and it found that film converted into 2 process due to existence hydroxide groups surface NPs. Depending temperature, reaction rate quality can be changed....

Abstract High-harmonic spectroscopy is an all-optical nonlinear technique with inherent attosecond temporal resolution. It has been applied to a variety of systems in the gas phase and solid state. Here we extend its use liquid samples. By studying high-harmonic generation over broad range wavelengths intensities, show that cut-off energy independent wavelength beyond threshold intensity it characteristic property studied liquid. We explain these observations semi-classical model based on...

Topological materials are considered as a novel quantum state of matter, which can be characterized by symmetry-protected Dirac interfacial states, and exhibit an exotic phenomenon when combined with the other phases. The topological phase in perovskite structures is important since it provide various heterostructure interfaces multifunctional properties. Alpha-(α-) cesium-based halide perovskites CsSnX3 (X = I, Br, Cl) promising candidate for semiconductors under hydrostatic pressures....

On the basis of real-time ab initio calculations, we study non-perturbative interaction two-color laser pulses with MgO crystal in strong field regime to generate isolated attosecond pulse from high-harmonic emissions crystal. In this regard, examine impact incident characteristics such as its shape, intensity, and ellipticity well consequence anisotropy on emitted harmonics their corresponding pulses. Our calculations predict creation a duration ~ 300 attoseconds; addition, using elliptical...

High harmonic generation (HHG) takes place in all phases of matter. In gaseous atomic and molecular media, it has been extensively studied is very well understood. solids, research ongoing, but a consensus forming for the dominant microscopic HHG mechanisms. liquids, on other hand, no established theory yet exists, approaches developed gases solids are generally inapplicable, hindering our current understanding. We develop here powerful reliable ab initio cluster-based approach describing...

The present work investigates the interfacial and atomic layer-dependent mechanical properties, SOC-entailing phonon band structure, comprehensive electron-topological–elastic integration of ZrTe2 NiTe2. anisotropy Young’s modulus, Poisson’s ratio, shear modulus are analyzed using density functional theory with TB-mBJ approximation. NiTe2 has higher property values greater than ZrTe2. Phonon dispersion analysis SOC effects predicts dynamic stability both compounds. Thus, current research...

In 2 F monolayer: DFT reveals auxetic (NPR) and topological insulator properties. Stable, with low work function anisotropic optical absorption.

On the basis of many-body {\it ab-initio} calculations, using single-shot G$_0$W$_0$ method and Bethe-Salpeter equation, we study phosphorene nanoribbons (PNRs) in two typical zigzag armchair directions. The electronic structure, optical absorption, electron-hole (exciton) binding energy, exciton exchange splitting, wave functions are calculated for different size PNRs. typically strong splitting between singlet triplet excitonic states make PNRs favorable systems application optoelectronic....

The effects of lattice distortion and chemical disorder on charge transport properties two-terminal zigzag phosphorene nanoribbons (zPNRs), which shows resonant tunneling behavior under an electrical applied bias, are studied. Our comprehensive study is based {\it ab~initio} quantum calculations the basis Landauer theory. We use nitrogen silicon substitutional dopant atoms, employ different physical quantities such as $I-V$ curve, voltage drop behavior, transmission spectrum, pathway, atomic...

Two-dimensional (2D) topological insulators (TIs) hold great promise for future quantum information technologies. Among the 2D-TIs, TiNI monolayer has recently been proposed as an ideal material achieving spin Hall effect at room temperature. Theoretical predictions suggest a sizable bandgap due to spin-orbit coupling (SOC) of electrons and near Fermi level with nontrivial 2 topology electronic states, which is robust under external strain. However, our detailed first-principles...

Based on density functional simulations combined with the Landauer transport theory, mechanical strain impacts chemical bonds of phosphorene and their effects electronic properties are studied. Moreover, effect tensile along zigzag direction charge a two-terminal device is evaluated. Enhancement intraplanar interactions, in particular between next-nearest neighbors strained phosphorene, found to be essential band-structure evolution. The analyzing shows that has strong piezoconductance...

Nanocrystals encapsulated within an amorphous matrix are computationally analyzed to quantify the degree which modifies nature of their quantum-confinement power---i.e., relationship between nanocrystal size and gap valence- conduction-band edges. A special geometry allows exactly same be applied nanocrystals increasing precisely changes in confinement without noise typically associated with encapsulating structures that different for each nanocrystal. The results both explain matrices...

Topological insulators with novel surfaces or edge states are the topological nature sequel of bulk electronic wave functions these materials. The observed signatures in structure can make them excellent candidates for thermoelectric Low dimensional materials such as phosphorene and Bi2Te3 nanowire have been confirmed to be desirable design devices high performance. So this work, phonon modes, formation energy cohesive LaX (X = Sb, Bi) monolayers first calculated investigated. Then band...