Related papers: First-principles Study of Non-Collinear Spin Fluct…
We present a first-principles method based on density functional theory and many-body perturbation theory for computing spin excitations in magnetic systems with noncollinear spin textures. Traditionally, the study of magnetic excitations…
We present an implementation of time-dependent density functional perturbation theory for spin fluctuations, based on planewaves and pseudopotentials. We compute the dynamic spin susceptibility self-consistently by solving the…
The fluctuations of the magnetic order parameter, or longitudinal spin excitations, are investigated theoretically in the ferromagnetic Fe and Ni as well as in the antiferromagnetic phase of the pnictide superconductor FeSe. The charge and…
We present an advanced method to study spin fluctuations in superconductors quantitatively, and entirely from first principles. This method can be generally applied to materials where electron-phonon coupling and spin fluctuations coexist.…
We calculate fluctuation corrections to the longitudinal conductivity of disordered superconductors subject to an external magnetic field. We derive analytic expressions that are valid in the entire metallic part of the temperature-magnetic…
Collective excitations in magnetic materials can be investigated by means of inelastic neutron scattering. We show that this experimental method gives access to the complete spectrum of magnetic fluctuations through the energy- and…
Thermodynamic flunctuations in BaFe2As2 is addressed with a first-principles formulation of the Helmholtz energy by accounting for the mixture of various electronic states each distinguished by different spin orientation distributions. We…
Single adatoms offer an exceptional playground for studying magnetism and its associated dynamics at the atomic scale. Here we review recent results on single adatoms deposited on metallic substrates, based on time-dependent density…
An investigation of possibilities for superconductivity mediated by spin fluctuations in some elementary metals is motivated by the recent discovery of superconductivity in the hcp high-pressure phase of iron. The electronic structure, the…
We calculated the structural, electronic and magnetic properties of FeSe within density-functional theory at the generalized gradient approximation level. First, we studied how the bandwidth of the d-bands at the Fermi energy are…
We study magnetic fluctuations in a system of interacting spins on a lattice at high temperatures and in the presence of a spatially varying magnetic field. Starting from a microscopic Hamiltonian we derive effective equations of motion for…
We use time-dependent spin-density-functional theory to study dynamical magnetic phenomena. First, we recall that the local-spin-density approximation (LSDA) fails to account correctly for magnetic fluctuations in the paramagnetic state of…
We develop a theory of spin noise spectroscopy of itinerant, noninteracting, spin-carrying fermions in different regimes of temperature and disorder. We use kinetic equations for the density matrix in spin variables. We find a general…
Spin is a fundamental property of any many-electron system. The ability of density functional theory to accurately predict the physical properties of a system, while varying its spin, is crucial for describing magnetic materials and…
We provide a systematic analysis of finite-temperature magnetic properties of random alloys Fe$_x$Ni$_{1-x}$ with the face-centered-cubic structure over a broad concentration range $x$. By means of the spin-polarized relativistic…
We present a theoretical investigation of epitaxial strain effects on the magnetic fluctuation properties of Mn$_3$Sn noncollinear antiferromagnets. Employing density functional theory (DFT), we uncover significant strain-induced…
We propose a mechanism to describe how a physical quantity, which initially can take continuous values, is restricted within some discrete values after a measurement. As an example of the present theory, in which interplay between coherence…
We present a computationally efficient general first-principles based method for spin-lattice simulations for solids. Our method is based on a combination of atomistic spin dynamics and molecular dynamics, expressed through a spin-lattice…
Kagome antiferromagnetic metal FeSn has become an attracting platform for the exploration of novel electronic states, such as topological Dirac states and the formation of flat bands by localized electrons. Apart from the electronic…
We study the Fe/W(110) monolayer system through a combination of first principles calculations and atomistic spin dynamics simulations. We focus on the dispersion of the spin waves parallel to the [001] direction. Our results compare…