Magnetism in AV_{3}Sb_{5} (A=Cs, Rb, and K): Origin and Consequences for the Strongly Correlated Phases.

The V-based kagome systems AV_{3}Sb_{5} (A=Cs, Rb, and K) are unique by virtue of the intricate interplay of nontrivial electronic structure, topology, and intriguing fermiology, rendering them to be a playground of many mutually dependent exotic phases like charge-order and superconductivity. Despite numerous recent studies, the interconnection of magnetism and other complex collective phenomena in these systems has yet not arrived at any conclusion. Using first-principles tools, we demonstrate that their electronic structures, complex fermiologies and phonon dispersions are strongly influenced by the interplay of dynamic electron correlations, nontrivial spin-polarization and spin-orbit coupling.

Correlation of Interface Interdiffusion and Skyrmionic Phases.

Magnetic skyrmions are prime candidates for the next generation of spintronic devices. Skyrmions and other topological magnetic structures are known to be stabilized by the Dzyaloshinskii-Moriya interaction (DMI) that occurs when the inversion symmetry is broken in thin films. Here, we show by first-principles calculations and atomistic spin dynamics simulations that metastable skyrmionic states can also be found in nominally symmetric multilayered systems.

Dislocation-Driven Relaxation Processes at the Conical to Helical Phase Transition in FeGe.

The formation of topological spin textures at the nanoscale has a significant impact on the long-range order and dynamical response of magnetic materials. We study the relaxation mechanisms at the conical-to-helical phase transition in the chiral magnet FeGe. By combining macroscopic ac susceptibility measurement, surface-sensitive magnetic force microscopy, and micromagnetic simulations, we demonstrate how the motion of magnetic topological defects, here edge dislocations, impacts the local formation of a stable helimagnetic spin structure.

Self-induced spin glass state in elemental and crystalline neodymium.

Spin glasses are a highly complex magnetic state of matter intricately linked to spin frustration and structural disorder. They exhibit no long-range order and exude aging phenomena, distinguishing them from quantum spin liquids. We report a previously unknown type of spin glass state, the spin-Q glass, observable in bulk-like crystalline metallic neodymium thick films.

Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study.

We study the mutual coupling of spin fluctuations and lattice vibrations in paramagnetic CrN by combining atomistic spin dynamics and ab initio molecular dynamics. The two degrees of freedom are dynamically coupled, leading to nonadiabatic effects. Those effects suppress the phonon lifetimes at low temperature compared to an adiabatic approach.

A majority gate with chiral magnetic solitons.

In magnetic materials, nontrivial spin textures may emerge due to the competition among different types of magnetic interactions. Among such spin textures, chiral magnetic solitons represent topologically protected spin configurations with particle-like properties. Based on atomistic spin dynamics simulations, we demonstrate that these chiral magnetic solitons are ideal to use for logical operations, and we demonstrate the functionality of a three-input majority gate, in which the input states can be controlled by applying an external electromagnetic field or spin-polarized currents.

First-principles theory of electronic structure and magnetism of Cr nano-islands on Pd(1 1 1).

We report on the electronic structure, magnetic moments and exchange interactions of one- and two-dimensional Cr clusters on a Pd(1 1 1) substrate, using a real-space method based on density functional theory in the local spin density approximation. We find in general that for the investigated clusters, the magnetic moments are sizeable and almost entirely of spin-character. We demonstrate that the interactions in general are dominated by nearest-neighbor antiferromagnetic Heisenberg form, which implies that Cr on Pd(1 1 1) forms an ideal model system, in which clusters of almost any shape and size can be investigated from a Heisenberg Hamiltonian, using a nearest-neighbor exchange model.

Spin relaxation signature of colossal magnetic anisotropy in platinum atomic chains.

Recent experimental data demonstrate emerging magnetic order in platinum atomically thin nanowires. Furthermore, an unusual form of magnetic anisotropy - colossal magnetic anisotropy (CMA) - was earlier predicted to exist in atomically thin platinum nanowires. Using spin dynamics simulations based on first-principles calculations, we here explore the spin dynamics of atomically thin platinum wires to reveal the spin relaxation signature of colossal magnetic anisotropy, comparing it with other types of anisotropy such as uniaxial magnetic anisotropy (UMA).

Emergence of the Zoonotic Biliary Trematode Pseudamphistomum truncatum in Grey Seals (Halichoerus grypus) in the Baltic Sea.

The biliary trematode Pseudamphistomum truncatum parasitizes a wide range of fish-eating mammals, including humans. Here we report the emergence of this parasite in grey seals (Halichoerus grypus) in the Baltic Sea. One hundred eighty-three of 1 554 grey seals (11.

A spin dynamics approach to solitonics.

In magnetic materials a variety of non-collinear ground state configurations may emerge as a result of competition among exchange, anisotropy, and dipole-dipole interaction, yielding magnetic states far more complex than those of homogenous ferromagnets. Of particular interest in this study are particle-like configurations. These particle-like states, e.

Atomistic spin dynamics and surface magnons.

Atomistic spin dynamics simulations have evolved to become a powerful and versatile tool for simulating dynamic properties of magnetic materials. It has a wide range of applications, for instance switching of magnetic states in bulk and nano-magnets, dynamics of topological magnets, such as skyrmions and vortices and domain wall motion. In this review, after a brief summary of the existing investigation tools for the study of magnons, we focus on calculations of spin-wave excitations in low-dimensional magnets and the effect of relativistic and temperature effects in such structures.

Polarization control at spin-driven ferroelectric domain walls.

Unusual electronic states arise at ferroelectric domain walls due to the local symmetry reduction, strain gradients and electrostatics. This particularly applies to improper ferroelectrics, where the polarization is induced by a structural or magnetic order parameter. Because of the subordinate nature of the polarization, the rigid mechanical and electrostatic boundary conditions that constrain domain walls in proper ferroics are lifted.

Topological excitations in a kagome magnet.

Chirality--that is, left or right handedness--is present in many scientific areas, and particularly in condensed matter physics. Inversion symmetry breaking relates chirality with skyrmions, which are protected field configurations with particle-like and topological properties. Here we show that a kagome magnet, with Heisenberg and Dzyaloshinskii-Moriya interactions, causes non-trivial topological and chiral magnetic properties.

Complex magnetic structure of clusters and chains of Ni and Fe on Pt(111).

We present an approach to control the magnetic structure of adatoms adsorbed on a substrate having a high magnetic susceptibility. Using finite Ni-Pt and Fe-Pt nanowires and nanostructures on Pt(111) surfaces, our ab initio results show that it is possible to tune the exchange interaction and magnetic configuration of magnetic adatoms (Fe or Ni) by introducing different numbers of Pt atoms to link them, or by including edge effects. The exchange interaction between Ni (or Fe) adatoms on Pt(111) can be considerably increased by introducing Pt chains to link them.

Microscopic model for ultrafast remagnetization dynamics.

In this Letter, we provide a microscopic model for the ultrafast remagnetization of atomic moments already quenched above the Stoner-Curie temperature by a strong laser fluence. Combining first-principles density functional theory, atomistic spin dynamics utilizing the Landau-Lifshitz-Gilbert equation, and a three-temperature model, we analyze the temporal evolution of atomic moments as well as the macroscopic magnetization of bcc Fe and hcp Co covering a broad time scale, ranging from femtoseconds to picoseconds. Our simulations show a variety of complex temporal behavior of the magnetic properties resulting from an interplay between electron, spin, and lattice subsystems, which causes an intricate time evolution of the atomic moment, where longitudinal and transversal fluctuations result in a macrospin moment that evolves highly nonmonotonically.

Suppression of standing spin waves in low-dimensional ferromagnets.

We examine the experimental absence of standing spin wave modes in thin magnetic films, by means of atomistic spin dynamics simulations. Using Co on Cu(001) as a model system, we demonstrate that by increasing the number of layers, the optical branches predicted from adiabatic first-principles calculations are strongly suppressed, in agreement with spin-polarized electron energy loss spectroscopy measurements reported in the literature. Our results suggest that a dynamical analysis of the Heisenberg model is sufficient in order to capture the strong damping of the standing modes.

Daubechies wavelets as a basis set for density functional pseudopotential calculations.

Daubechies wavelets are a powerful systematic basis set for electronic structure calculations because they are orthogonal and localized both in real and Fourier space. We describe in detail how this basis set can be used to obtain a highly efficient and accurate method for density functional electronic structure calculations. An implementation of this method is available in the ABINIT free software package.

Conditions for noncollinear instabilities of ferromagnetic materials.

Two criteria have been identified here which determine whether a magnetic metal orders in a collinear (e.g., ferromagnet) or noncollinear (e.

Determination of atropisomeric and planar polychlorinated biphenyls, their enantiomeric fractions and tissue distribution in grey seals using comprehensive 2D gas chromatography.

High prevalence of uterine occlusions and sterility is found among Baltic ringed and grey seal. Polychlorinated biphenyls (CBs) are suspected to be the main cause. The CB concentrations are higher in affected than in healthy animals, but the natural variation is considerable.

Bone mineral density in male Baltic grey seal (Halichoerus grypus).

Bone mineral density (mg cm(-3)) was studied in male Baltic grey seals (4-23 years of age) by noninvasive computed tomography (pQCT). The material was grouped according to year of collection. Group A: 1850-1955, a period before the main introduction of organochlorines (OCs); Group B: 1965-1985, a period with very high OC contamination; and Group C: 1986-1997, a period with decreasing concentrations of OCs.

Concentrations and enantiomer fractions of organochlorine compounds in Baltic species hit by reproductive impairment.

Concentrations and enantiomer fractions (EFs) of organochlorine compounds (OCs) were determined in tissues of gray seal (Halichoerus grypus) and salmon (Salmo salar) originating from the Baltic Sea. The selected seal specimens ranged from starved to unstarved animals, and some of them suffered from a disease complex, while the salmon samples originated from individuals, which were known to produce offspring with and without the M74 syndrome. Significant differences in residue levels and EFs were found between seal groups but not between M74 salmon and non-M74 salmon.

Diltiazem infusion for renal protection in cardiac surgical patients with preexisting renal dysfunction.

Objective: To evaluate if the calcium channel blocker diltiazem protects postoperatively renal function in cardiac surgical patients with preexisting mild-to-moderate renal dysfunction.

Design: Prospective, randomized, placebo-controlled, double-blind, clinical study.

Setting: Cardiothoracic anesthesia department at a university hospital.