Related papers: Magnetoelastic coupling in iron
We present a detailed first principles study of Fe-pnictides with particular emphasis on competing magnetic interactions, structural phase transition, giant magneto-elastic coupling and its effect on phonons. The exchange interactions…
With muon spin rotation ($ \mu $SR) we studied the transition between the orthorhombic antiferromagnetic (o-AF) and the tetragonal antiferromagnetic (t-AF) states of a weakly underdoped Ba$ _{1-x} $K$ _{x} $Fe$ _{2} $As$ _{2} $ single…
Magnetic axis rotation (MAR) in ferromagnetic (FM) layers is crucial for strain-mediated converse magnetoelectric coupling. Employing the density functional theory (DFT), we computationally study the magnetic anisotropy of selected deformed…
In this research, we examine the electronic, magnetic, and lattice properties of the Fe$_4$(P$_2$O$_7$)$_3$ compound using the first principles calculations based on the density functional theory. The crystal lattice has a monoclinic…
The role of doping Fe on the structural, magnetic and dielectric properties of frustrated antiferromagnet YMn1-xFexO3 (x less than or equal to 0.5) has been investigated. The neutron diffraction analysis shows that the structure of these…
We have studied the effect of Fe addition on the structural and magnetic transitions in the magnetic shape memory alloy Ni-Mn-Ga by substituting systematically each atomic species by Fe. Calorimetric and AC susceptibility measurements have…
Local perturbations of crystal and magnetic structure of $\gamma$-iron near carbon interstitial impurity is investigated by {\it ab initio} electronic structure calculations. It is shown that the carbon impurity creates locally a region of…
We present the \emph{ab initio} calculation of the electronic structure and magnetic properties of Bi$_2$Fe$_4$O$_9$. This compound crystallizes in the orthorhombic crystal structure with the Fe$^{3+}$ ions forming the Cairo pentagonal…
We present an ab-initio-based effective interaction model (EIM) for the study of magnetism, thermodynamics, and their interplay in body-centered cubic Fe-Co alloys, with Co content from 0 to 70%. The model includes explicitly both spin and…
One of the central appealing properties of magnetic gels and elastomers is that their elastic moduli can reversibly be adjusted from outside by applying magnetic fields. The impact of the internal magnetic particle distribution on this…
The diversity of mesostructures formed in steel at cooling from a high-temperature austenite ("gamma") phase is determined by the interplay of shear reconstructions of crystal lattice and diffusion of carbon. Combining first-principles…
The generalized Fisher super-exchange antiferromagnetic model with uniaxial crystal-field anisotropy is exactly investigated using an extended mapping technique. An exact relation between partition function of the studied system and that…
Lattice stability in a model of antiferromagnetic ring coupled to adiabatic phonons is investigated for different values of the spin and numbers of magnetic sites. The magneto-elastic transition is shown to be heavily affected by the spin…
We have investigated the effects of hydrostatic pressure and compressive biaxial strain on the $\Gamma$-point energy states of GaN and InN with zincblende crystal structure via first-principles DFT+HSE06 computation. To correctly reproduce…
The consequences of coupling magnetic and elastic degrees of freedom, where spins and deformations are carried by point-like objects subject to local interactions, are studied, theoretically and by detailed numerical simulations. From the…
We develop a magneto-elastic (ME) coupling model for the interaction between the vortex lattice and crystal elasticity. The theory extends the Kogan-Clem's anisotropic Ginzburg-Landau (GL) model to include the elasticity effect. The…
Density functional theory calculations within the generalized gradient approximation are employed to study the ground state of Co2FeAl. Various magnetic configurations are considered to find out its most stable phase. The ferromagnetic…
The mechanical and magnetic properties of the newly discovered MAB-phase class of materials based upon AlFe2B2 were investigated. The samples were synthesised from stoichiometric amounts of all constituent elements. X-ray diffraction shows…
We employ a kinetic-exchange tight-binding model to calculate the magnetic interaction and anisotropy energies of a pair of substitutional Mn atoms in GaAs as a function of their separation distance and direction. We find that the most…
We present a first-principles study of the large magneto-crystalline anisotropy in the intercalated di-chalcogenide material \ce{Fe_{0.25}TaS_2}, investigated with the DFT+U approach. We verify a uniaxial magnetocrystalline anisotropy…