Search results for "CELL"

Ab initio calculations of the electronic structure for Mn2+-doped YAlO3 crystals

2020

The electronic structure of Mn2+ ion substituted for the host Y atom in orthorhombic bulk YAlO3 crystals has been calculated by means of hybrid exchange-correlation functional HSE within density functional theory. The supercell approach has been used to simulate in Pbnm YAlO3 crystal the point defects, Mn-dopant and compensated the F+ center (oxygen vacancy with one trapped electron), to make unit cell neutral. Large 2 × 2 × 2 supercells of 160 atoms allow us to simulate substitutional point defect with concentration of about 3%. Mn2+ ions substituting for host Y form covalent Mn–O bonds, in opposite to the mostly ionic Y–O bond. The F center inserted to compensate the Mn2+ dopant in YAlO3 …

Impact of the interplay of piezoelectric strain and current-induced heating on the field-like spin–orbit torque in perpendicularly magnetized Ta/Co20…

2021

Spin–orbit torques (SOTs) are known to be the most efficient way to manipulate the magnetization direction by electrical currents. While, conventionally, one symmetry component of the SOTs, namely, the damping-like torque, was considered to play a primary role, recently, the significance of the other component, the field-like torque, has been revised, owing to the non-trivial dynamics it can induce in heavy metal/ferromagnet multilayers. In this work, we first discuss the unusual behavior of the field-like SOT in a Ta/CoFeB/Ta/MgO multilayer system with a reduced magnetic anisotropy and demonstrate an energy-efficient approach to manipulate the magnitude of the SOT effective fields. Finally…

Efficiency of H center stabilization in alkali halide crystals at low-temperature uniaxial deformation

2020

The efficiency of stabilization of H centers as well as its dependence on the degree of uniaxial deformation are considered within the framework of the modified geometric model of alkali halides. It is shown that stabilization of H centers is difficult in KI and RbI crystals, while in other NaCl-type crystals it becomes quite probable. Under uniaxial deformation, the interstitial space, in which the defect will be located, decreases, and the efficiency decrease. In the case of cesium halides, the orientation of the H centers takes place predominantly in the direction; therefore, the criteria for their stabilization differ from the NaCl-type alkali halide crystals. According to calculations,…

Antiferromagnetic NiO thickness dependent sign of the spin Hall magnetoresistance in γ-Fe 2 O 3 /NiO/Pt epitaxial stacks

2019

We study the spin Hall magnetoresistance (SMR) in epitaxial γ–Fe2O3/NiO(001)/Pt stacks, as a function of temperature and thickness of the antiferromagnetic insulating NiO layer. Upon increasing the thickness of NiO from 0 nm to 10 nm, we detect a sign change of the SMR in the temperature range between 10 K and 280 K. This temperature dependence of the SMR in our stacks is different compared to that of previously studied yttrium iron garnet/NiO/Pt, as we do not find any peak or sign change as a function of temperature. We explain our data by a combination of spin current reflection from both the NiO/Pt and γ-Fe2O3/NiO interfaces and the thickness-dependent exchange coupling mode between the …

Positron annihilation characterization of free volume in microand macro-modified Cu0.4Co0.4Ni0.4Mn1.8O4ceramics

2016

Free volume and pore size distribution size in functional micro and macro-micro-modified Cu0.4Co0.4Ni0.4Mn1.8O4 ceramics are characterized by positron annihilation lifetime spectroscopy in comparison with Hg-porosimetry and scanning electron microscopy technique. Positron annihilation results are interpreted in terms of model implication positron trapping and ortho-positronium decaying. It is shown that free volume of positron traps are the same type for macro and micro modified Cu0.4Co0.4Ni0.4Mn1.8O4 ceramics. Classic Tao-Eldrup model in spherical approximation is used to calculation of the size of nanopores smaller than 2 nm using the ortho-positronium lifetime.

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…

2019

We systematically study the pump-wavelength dependence of terahertz pulse generation in thin-film spintronic THz emitters composed of a ferromagnetic CoFeB layer between adjacent nonmagnetic W and Pt layers. We find that the efficiency of THz generation is essentially flat for excitation by 150 fs pulses with center wavelengths ranging from 900 to 1500 nm, demonstrating that the spin current does not depend strongly on the pump photon energy. We show that the inclusion of dielectric overlayers of TiO2 and SiO2, designed for a particular excitation wavelength, can enhance the terahertz emission by a factor of up to two in field.

Enhancing domain wall velocity through interface intermixing in W-CoFeB-MgO films with perpendicular anisotropy

2019

We study the influence of He+ irradiation induced interface intermixing on magnetic domain wall (DW) dynamics in W-CoFeB (0.6 nm)-MgO ultrathin films, which exhibit high perpendicular magnetic anisotropy and large Dzyaloshinskii-Moriya interaction (DMI) values. Whereas the pristine films exhibit strong DW pinning, we observe a large increase in the DW velocity in the creep regime upon He+ irradiation, which is attributed to the reduction of pinning centers induced by interface intermixing. Asymmetric in-plane field-driven domain expansion experiments show that the DMI value is slightly reduced upon irradiation, and a direct relationship between DMI and interface anisotropy is demonstrated. …

Continuous hydrothermal synthesis in supercritical conditions as a novel process for the elaboration of Y-doped BaZrO3

2021

Abstract The present work describes a novel process for the elaboration of a ceramic material. Y-doped barium zirconate, an electrolyte material for Protonic Ceramic Fuel cell, was synthesized by a continuous hydrothermal process in supercritical conditions (410 °C/30.0 MPa) using nitrate precursors and NaOH reactants. The use of supercritical water allowed the formation of particles of about 50 nm in diameter with a narrow size distribution. X-Ray Diffraction examination revealed that a major perovskite phase with few BaCO3 and YO(OH) impurities was obtained. BaCO3 is assumed to form due to faster kinetics than Y-doped BaZrO3 resulting in a Ba-deficient perovskite phase. The Ba-deficiency …

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…