A three-dimensional model of direct heat treatment of a sample surface with a moving laser has been established utilizing the finite element method. Attention is devoted to the preparation of complex boundary conditions of a moving heat source. Boundary conditions of material heat ...

Ag3AuSe2 and Ag3AuTe2 are interesting class of semiconducting materials. Here, elastic and opto-electronic properties of Ag3AuSe2 and Ag3AuTe2 semiconductors are studied in detail using density functional theory. Different schemes are selected to treat the exchange-correlation effects. The unit cell o...

3D reconstruction of heterogeneous ion-exchange membranes when swollen in an appropriate electrolyte by micro-computed tomography (μ-CT) can provide important information on structural changes caused by their swelling or shrinkage and used this knowledge along with their electrochemical characteristics for...

The influence of the compression mechanism on the unit cell of CrF3 is investigated by means of density functional theory. The experimental lattice parameters under different pressure values starting from the ambient pressure up to 9.12 GPa were optimized so as to relax the cr...

The influence of the spin-orbit coupling (SOC) on the magnetic dipole term Tα is studied across a range of systems in order to check whether the Tα term can be eliminated from analysis of x-ray magnetic circular dichroism spectra performed via the spin moment sum rule.&#x...

The main aim of the presented research was to check mechanical response of human body model under loads that can occur during airplane accidents and compare results of analysis with some results of experimental tests described in literature. In simulations the VIRTHUMAN model was&#...

A comprehensive theoretical calculation for the complex first-order linear and the second-order non-linear optical dispersion of acentric lead nitrate hydroxide (Pb16(OH)16(NO3)16) single crystals was performed based on the experimental crystallographic data obtained by Chang et al

The spin polarized complex first-order linear optical dispersion reveals the spin-polarized electronic structure of aEu2(MoO4)3. Calculation explored the influence of the generalized gradient approximation plus the Hubbard Hamiltonian (GGA + U) on the band dispersion and the energy band gap of&#x...

The Cu2Zn1−xCdxSnS4 quinternary alloy nanostructures with different Cd contents were grown using spin coating technique on porous silicon (63.93 %) substrate. The structural properties of Cu2Zn1−xCdxSnS4/PS were investigated by X-ray diffraction and field emission-scanning electron microscope (FE-SEM).

We report on the quenching of single Ni adatom moments on Te-terminated Bi2 Te2Se and Bi2Te3 topological insulator surfaces. The effect is noted as a missing x-ray magnetic circular dichroism for resonant L3,2 transitions into partially filled Ni 3d states of theory-derived occupancy&#x...

Macroscopic ferroelectric order in α-GeTe with its noncentrosymmetric lattice structure leads to a giant Rashba spin splitting in the bulk bands due to strong spin-orbit interaction. Direct measurements of the bulk band structure using soft x-ray angle-resolved photoemission (ARPES) reveals the&#...

We consider the details of the near-surface electronic band structure of a prototypical ferromagnet, Fe(001). Using highresolution angle-resolved photoemission spectroscopy, we demonstrate openings of the spin-orbit-induced electronic band gaps near the Fermi level. The band gaps, and thus the Fermi&#...

Entanglement of the spin–orbit and magnetic order in multiferroic materials bears a strong potential for engineering novel electronic and spintronic devices. Here, we explore the electron and spin structure of ferroelectric a-GeTe thin films doped with ferromagnetic Mn impurities to achieve ...

Topological insulators (TIs) are exciting materials, which exhibit unprecedented properties, such as helical spinmomentum locking, which leads to large torques for magnetic switching and highly efficient spin current detection. Here we explore the compound YPtBi, an example from the class of ...

The breaking of bulk inversion symmetry in ferroelectric semiconductors causes a Rashba-type spin splitting of electronic bulk bands. This is shown by a comprehensive mapping of the spin polarization of the electronic bands in ferroelectric α- GeTe(111) films using a time-of-flight momentum&...

The hyperfine field Bhf and the magnetic properties of the BaFe2 As2 family are studied using the fully relativistic Dirac formalism for different types of substitution. The study covers electron doped Ba(Fe1−x Cox )2 As2 and Ba(Fe1−x Nix )2 As2 , hole doped (Ba1−x Kx )Fe...

Multiferoic oxides have enormous application potential thanks to the mutually coupled magnetic and dielectric response embedded in a standalone material. Among them, the unique case is the cobalt chromite with spin-induced electric polarization locked to the magnetization direction and propagation...

Reversible evolution of macroscopic and mesoscopic systems can be conveniently constructed from two ingredients: an energy functional and a Poisson bracket. The goal of this paper is to elucidate how the Poisson brackets can be constructed and what additional features we also gain ...

Recently, there has been a considerable progress in the development of poly(amide imide)s (PAIs) for various commercial applications (such as gas separation, nanofiltration, osmotic power generation and pervaporation) due to their outstanding characteristics, combining high mechanical strength, melt proces...

We have calculated the electronic structure and physical properties of metal thiophosphate compounds InPS4 and AlPS4 by means of pseudopotential density functional theory (DFT) coupled with the modern theory of polarization