Related papers: Distorted magnetic orders and electronic structure…
The magnetization distribution, its energetic characterization by the interlayer coupling constants and lattice dynamics of (001)-oriented Fe/Pt multilayers are investigated using density functional theory combined with the direct method to…
The charge and spin dynamics of the structurally simplest iron-based superconductor, FeSe, may hold the key to understanding the physics of high temperature superconductors in general. Unlike the iron pnictides, FeSe lacks long range…
We apply the first-order reversal curve (FORC) method, borrowed from studies of ferromagnetic materials, to the magneto-structural phase transition of FeTe. FORC measurements reveal two features in the hysteretic phase transition, even in…
Using an electric field instead of an electric current (or a magnetic field) to tailor the electronic properties of magnetic materials is promising for realizing ultralow energy-consuming memory devices because of the suppression of Joule…
Resolving the interplay between magnetic interactions and structural properties in strongly correlated materials through a quantitatively accurate approach has been a major challenge in condensed matter physics. Here we apply highly…
Electronic scattering is a powerful tool to identify underlying changes in electronic behavior and incipient electronic and magnetic orders. The nematic and magnetic phases are strongly intertwined under applied pressure in FeSe, however,…
This work investigates the competition between dipole conservation, which imposes strong dynamical constraints and prevents the propagation of isolated spin excitations, and Ising-type interactions that favor ordering. Specifically, we…
We use density functional theory to investigate effects of spin-orbit coupling and single-stripe-type antiferromagnetic (sAFM) ordering on the crystal structure and electronic properties of SmFeAsO. The results indicate that AFM ordering…
Fourth order perturbation was applied to study a small variation of the azimuthal angle of spin of fcc structured ferromagnetic thin films with two spin layers. The variation of magnetic energy and the orientation of magnetic easy axis with…
The layered material Mn$_3$Si$_2$Te$_6$, with alternating stacking honeycomb and triangular layers, is attracting considerable attention due to its rich physical properties. Here, using density functional theory and classical Monte Carlo…
Superconductivity arises in the layered iron-pnictide compounds when magnetic long range order disappears. We use first principles density functional methods to study magnetic arrangements that may compete with long range order near the…
The development of quantitative models for radiation damage effects in iron, iron alloys and steels, particularly for the high temperature properties of the alloys, requires understanding of magnetic interactions, which control the phase…
Motivated by recent experimental work on FeCrAs, we study the magnetic properties of classical spin models on the hexagonal Fe$_2$P/ZrNiAl structure (space group $P{\bar{6}}2m$). When both transition metal/rare earth sites carry magnetic…
A hallmark of the iron-based superconductors is the strong coupling between magnetic, structural and electronic degrees of freedom. However, a universal picture of the normal state properties of these compounds has been confounded by recent…
Effect of tetragonal distortion on the electronic structure, dynamical properties and superconductivity in Mo$_3$Sb$_7$ is analyzed using first principles electronic structure and phonon calculations. Rigid muffin tin approximation (RMTA)…
We have studied the electronic and magnetic structures of the ternary iron arsenides AFe$_2$As$_2$ (A = Ba, Ca, or Sr) using the first-principles density functional theory. The ground states of these compounds are in a collinear…
To elucidate the magnetic structure and the origin of the nematicity in FeSe, we perform a high-pressure $^{77}$Se NMR study on FeSe single crystals. We find a suppression of the structural transition temperature with pressure up to about 2…
Using density functional theory within the local spin density approximation, structural, electronic and magnetic properties of SRO are investigated. We examine the magnitude of the orthorhombic distortion in the ground state and also the…
Controllable magnetization in atomically thin two-dimensional magnets is highly desirable for developing spintronics. For FeSe monolayer, its magnetic ground state is not yet fully understood, and the potential in constructing high-speed…
We report pressure-dependent neutron diffraction and muon spin relaxation/rotation measurements combined with first-principles calculations to investigate the structural, magnetic, and electronic properties of BaFe$_2$S$_3$ under pressure.…