Search results for " Molecular*"

High pressure theoretical and experimental analysis of the bandgap of BaMoO4, PbMoO4, and CdMoO4

2019

We have investigated the origin of the bandgap of BaMoO4, PbMoO4, and CdMoO4 crystals on the basis of optical absorption spectroscopy experiments and ab initio electronic band structure, density of states, and electronic localization function calculations under high pressure. Our study provides an accurate determination of the bandgaps Eg and their pressure derivatives d E g / dP for BaMoO4 (4.43 eV, −4.4 meV/GPa), PbMoO4 (3.45 eV, −53.8 meV/GPa), and CdMoO4 (3.71 eV, −3.3 meV/GPa). The absorption edges were fitted with the Urbach exponential model which we demonstrate to be the most appropriate for thick crystals with direct bandgaps. So far, the narrowing of the bandgap of distinct PbMoO4…

Ab initio calculations of structural, electronic and vibrational properties of BaTiO3 and SrTiO3 perovskite crystals with oxygen vacancies

2020

The first-principles (ab initio) computations of the structural, electronic, and phonon properties have been performed for cubic and low-temperature tetragonal phases of BaTiO3 and SrTiO3 perovskite crystals, both stoichiometric and non-stoichiometric (with neutral oxygen vacancies). Calculations were performed with the CRYSTAL17 computer code within the linear combination of atomic orbitals approximation, using the B1WC advanced hybrid exchange-correlation functional of the density-functional-theory (DFT) and the periodic supercell approach. Various possible spin states of the defective systems were considered by means of unrestricted (open shell) DFT calculations. It was demonstrated that…

Corrosion of Welded Metal Structures of Mining Equipment

2018

Mining equipment made of welded metal structures is strongly affected by the corrosion phenomenon due to the working conditions. Initial research has shown that the corrosion phenomenon is most pronounced in the area of cross-welded joints and welded T-shaped joints. In the researches, there was made a chemical analysis of the welded construction material used respectively of the new material and it was observed a reduction in carbon concentration in the material used, but also a substantial increase in the sulfur concentration compared to the new material. The pronounced corrosion of the metallic structure is influenced by the chemical composition change because the sulfur is a grafitizin…

SiC MOSFET vs SiC/Si Cascode short circuit robustness benchmark

2019

Abstract Nowadays, MOSFET SiC semiconductors short circuit capability is a key issue. SiC/Si Cascodes are compound semiconductors that, in some aspects, show a similar MOSFET behaviour. No interlayer dielectric insulation suggests, in theory, Cascode JFETs as more robust devices. The purpose of this paper is to compare the drift and degradation of two commercial devices static parameters by exposing them to different levels of repetitive 1.5 μs short-circuit campaigns at 85% of its breakdown voltage. Short-circuit time has been set experimentally, and longer times result in catastrophic failure of MOSFET devices due to over self-heating. For this purpose, pre- and post-test short circuit ch…

2018

Damping distances of surface plasmon polariton modes sustained by different thin titanium nitride (TiN) films are measured at the telecom wavelength of 1.55 μm. The damping distances are correlated to the electrical direct current resistivity of the films sustaining the surface plasmon modes. It is found that TiN/Air surface plasmon mode damping distances drop non-linearly from 40 to 16μm as the resistivity of the layers increases from 28 to 130μΩ.cm, respectively. The relevance of the direct current (dc) electrical resistivity for the characterization of TiN plasmonic properties is investigated in the framework of the Drude model, on the basis of parameters extracted from spectroscopic ell…

Synchronous precessional motion of multiple domain in a ferromagnetic nanowire by perpendicular field pulses

2014

Magnetic storage and logic devices based on magnetic domain wall motion rely on the precise and synchronous displacement of multiple domain walls. The conventional approach using magnetic fields does not allow for the synchronous motion of multiple domains. As an alternative method, synchronous current-induced domain wall motion was studied, but the required high-current densities prevent widespread use in devices. Here we demonstrate a radically different approach: we use out-of-plane magnetic field pulses to move in-plane domains, thus combining field-induced magnetization dynamics with the ability to move neighbouring domain walls in the same direction. Micromagnetic simulations suggest …

High efficiency resonance ionization of palladium with Ti:sapphire lasers

2016

This work presents the development and testing of highly efficient excitation schemes for resonance ionization of palladium. To achieve the highest ionization efficiencies, a high-power, high repetition rate Ti:sapphire laser system was used and 2-step, 3-step and 4-step schemes were investigated and compared. Starting from different excited steps, the frequencies of the final ionization steps were tuned across the full accessible spectral range of the laser system, revealing several autoionizing Rydberg series, which converge towards the energetically higher lying state of the Pd+ ion ground state configuration. Through proper choice of these excitation steps, we developed a highly efficie…

Spontaneous order in ensembles of rotating magnetic droplets

2019

Ensembles of elongated magnetic droplets in a rotating field are studied experimentally. In a given range of field strength and frequency the droplets form rotating structures with a triangular order - rotating crystals. A model is developed to describe ensembles of several droplets, taking into account the hydrodynamic interactions between the rotating droplets in the presence of a solid wall below the rotating ensemble. A good agreement with the experimentally observed periodic dynamics for an ensemble of four droplets is obtained. During the rotation, the tips of the elongated magnetic droplets approach close to one another. An expression is derived that gives the magnetic interaction be…

Nanoscale Etching of GaAs and InP in Acidic H<sub>2</sub>O<sub>2</sub> Solution: A Striking Contrast in Kinetics and Surface …

2018

In this study of nanoscale etching for state-of-the-art device technology the importance of the nature of the surface oxide, is demonstrated for two III-V materials. Etching kinetics for GaAs and InP in acidic solutions of hydrogen peroxide are strikingly different. GaAs etches much faster, while the dependence of the etch rate on the H+ concentration differs markedly for the two semiconductors. Surface analysis techniques provided information on the surface composition after etching: strongly non-stoichiometric porous (hydr)oxides on GaAs and a thin stoichiometric oxide that forms a blocking layer on InP. Reaction schemes are provided that allow one to understand the results, in particular…

Development of hard x-ray photoelectron SPLEED-based spectrometer applicable for probing of buried magnetic layer valence states

2016

Abstract A novel design of high-voltage compatible polarimeter for spin-resolved hard X-ray photoelectron spectroscopy (Spin-HAXPES) went into operation at beamline BL09XU of SPring-8 in Hyogo, Japan. The detector is based on the well-established principle of electron diffraction from a W(001) single-crystal at a scattering energy of 103.5 eV. It's special feature is that it can be operated at a high negative bias potential up to 10 kV, necessary to access the HAXPES range. The polarimeter is operated behind a large hemispherical analyzer (Scienta R-4000). It was optimized for high transmission of the transfer optics. A delay-line detector (20 mm dia.) is positioned at the exit plane of the…