相关论文: Structural peculiarities of plastically-deformed c…

We propose a method for modeling the magnetic properties of nanomaterials with different structures. The method is based on the Ising model and the approximation of the random field interaction. It is shown that in this approximation, the…

The Hubbard model on fcc-type lattices is studied in the dynamical mean-field theory of infinite spatial dimensions. At intermediate interaction strength finite temperature Quantum Monte Carlo calculations yield a second order phase…

BaFe2Se3 (Pnma, CsAg2I3-type structure), recently assumed to show superconductivity at ~ 11 K, exhibits a pressure-dependent structural transition to the CsCu2Cl3-type structure (Cmcm space group) around 60 kbar, as evidenced from…

The antiferromagnetic three-state Potts model on the simple-cubic lattice is studied using Monte Carlo simulations. The ordering in a medium temperature range below the critical point is investigated in detail. Two different regimes have…

We employ state-of-the-art ab initio simulations within the dynamical mean-field theory to study three likely phases of iron (hexogonal close-packed, hcp, face centered cubic, fcc, and body centered cubic, bcc) at the Earth's core…

The alloying elements introduced into carbon steel to enhance its mechanical properties also diffuse into cementite (Fe$_3$C) particles, modifying their characteristics and thereby influencing the overall performance of the steel. This…

Ultrathin 3d-4f synthetic ferrimagnets with perpendicular magnetic anisotropy (PMA) exhibit a range of intriguing magnetic phenomena, including all-optical switching of magnetization (AOS), fast current-induced domain wall motion (CIDWM),…

In this work we investigate Ising and classical Heisenberg models for two and three dimensional lattices in presence of diluted ferromagnetic dimers. For such models the Curie temperature as a function of ratio of intra-dimer exchange…

Superconducting FeSe has been investigated by measurements of the magnetic susceptibility versus temperature and Moessbauer spectroscopy at various temperatures including strong external magnetic fields applied to the absorber. It was found…

We report new results of a 57Fe M\"ossbauer study of multiferroic 3R-AgFeO2 powder samples performed in a wide temperature range, including two points, TN1 ~ 14 K and TN2 ~ 9 K, of magnetic phase transitions. At the intermediate temperature…

Iron nanoparticles are among the most promising low-dimensional materials in terms of applications. This particularity is attributable to the magnetic properties of these nanoparticles, which exhibit different allotropes as a function of…

The crystal structure of the layered iron arsenide Sr3Sc2O5Fe2As2 was determined between 300 and 10 K. The lattice parameters of the tetragonal cell decrease anisotropically according to delta(c)/c : delta(a)/a = 4.2, which results in a…

Using Density Functional Theory (DFT) calculations and Monte-Carlo (MC) simulations, we investigate the recently reported magnetic transition in B2 Al-Cr-Co alloys. The Cr sublattice is alloyed with different amounts of Co in the…

We present a theoretical investigation, based on ab initio calculations and the quasi-harmonic approximation, on the stability properties of magnesium (MgCO$_3$) and calcium (CaCO$_3$) carbonates at high temperatures and pressures. The…

The transition metal selenides (MxSey) have gained attention for their unique physical and chemical properties, especially those associated with the transition metal (M). Despite advancements in synthesis, fabricating these selenides is…

The temperature dependence of mechanical properties of steel nanowires with varying carbon content was studied using molecular dynamics simulations. Four interatomic potentials were assessed, with the Modified Embedded Atom Method (MEAM)…

Alpha-Fe2O3 and alpha-Cr2O3 has been mechanical alloyed to prepare Fe1-xCrxO3 oxides for x = 0.2-0.8. Synchrotron X-ray diffraction and Raman spectra have shown inhomogeneous structure of {\alpha}-Fe2O3 and {\alpha}-Cr2O3 phases in…

The interplay between magnetism and crystal structures in three CaFe$_{2}$As$_{2}$ samples is studied. For the nonmagnetic quenched crystals, different crystalline domains with varying lattice parameters are found, and three phases…

The magnetic properties of the diluted magnetic semiconductors (DMS) (Ga, Mn)As and (Ga, Mn)N are investigated by means of an effective Heisenberg model, whose exchange parameters are obtained from first-principle calculations. The…

57Fe Mossbauer spectroscopy was used to perform a microscopic study on the extremely pressure and strain sensitive compound, CaFe2As2, with different degrees of strain introduced by grinding and annealing. At the base temperature, in the…