Related papers: Transverse spin gradient functional for non-collin…
We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation of the effective magnetic interactions…
Aspects of Density Functional Resonance Theory (DFRT) [Phys. Rev. Lett. \textbf{107}, 163002 (2011)], a recently developed complex-scaled version of ground-state Density Functional Theory (DFT), are studied in detail. The asymptotic…
Kohn-Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn-Sham Hamiltonian generally results in a large number of basis functions…
We explore the limitations and validity of semi-classically formulated spin equations of motion. Using a single-molecule magnet as a test model, we employ three qualitatively different approximation schemes. From a microscopic model, we…
Investigations of molecular magnets are driven both by prospective applications in future storage technology or quantum computing as well as by fundamental questions. Nowadays numerical simulation techniques and computer capabilities make…
We theoretically propose a novel spin-dependent electronic transport mechanism in which the spin-unpolarized electron beam is split into different directions depending on spins at an atomic domain boundary in non-magnetic material.…
Recent reports of spin-orbit coupling enhancement in chemically modified graphene have opened doors to studies of the spin Hall effect with massless chiral fermions. Here, we theoretically investigate the interaction and impurity density…
An antiferromagnetic metal with two-dimensional triangular network offers a unique playground of intriguing magneto-transport properties and functionalities stemming from interplay between conducting electrons and intricate magnetic phases.…
In this paper the first principle noncollinear transport calculation for Cu/Co(111) including interfacial spin-flipping was performed. We modeled spin-flipping at the interface by assuming a noncollinear magnetic structure with random…
This work develops a new generalized technique for determining the static and dynamic properties of any non-collinear magnetic system. By rotating the spin operators into the local spin reference frame, we evaluate the zeroth, first, and…
The exact universal functional of integer charge leads to an extension to fractional charge asymptotically when it is applied to a system made of asymptotically separated densities. The extended functional is asymptotically local and is…
We report the emergence of adsorption-induced magnetism from heterohelicene molecules on a non-magnetic Cu(100) surface. Spin-polarized low-energy electron microscopy (SP-LEEM) measurements reveal spin-dependent electron reflectivity for…
Here we calculate the dynamic susceptibility and dynamic correlation function in spin ice using the model of emergent magnetic monopoles. Calculations are based on a method originally suggested for the description of dynamic processes in…
Using the Landau Fermi liquid theory we have discovered a new regime for the propagation of spin waves in a quasi-equilibrium spin systems. We have determined the dispersion relation for the transverse spin waves and found that one of the…
A semi-relativistic density-functional theory that includes spin-orbit couplings and Zeeman fields on equal footing with the electromagnetic potentials, is an appealing framework to develop a unified first-principles computational approach…
We present a method which enables solid-state density functional theory calculations to be applied to systems of almost unlimited size. Computations of physical effects up to the micron length scale but which nevertheless depend on the…
A remarkably long-lived spin plasmon may exist in two-dimensional electron liquids with imbalanced spin up and spin down population. Predictions for this interesting mode by Agarwal et al. [Phys. Rev. B 90, 155409 (2014)] are based on the…
We use spin-density-functional theory within an envelope function approach to calculate electronic states in a GaAs/InAs core-shell nanowire pierced by an axial magnetic field. Our fully 3D quantum modeling includes explicitly the…
The ac spin pumping of noncollinear antiferromagnets is theoretically investigated. Starting from an effective action description of the spin system, we derive the Onsager coefficients connecting the spin pumping and spin-transfer torque…
The group theory framework developed by Fukutome for a systematic analysis of the various broken symmetry types of Hartree-Fock solutions exhibiting spin structures is here extended to the general many body context using spinor-Green…