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The spin dynamics of all ferromagnetic materials are governed by two types of collective excitations: spin waves and domain walls. The fundamental processes underlying these collective modes, such as exchange interactions and magnetic…
Quantum spin rings represent fundamental model systems that exhibit distinctive quantum phenomena-such as quantum critical behavior and quasiparticle excitations-arising from their periodic boundary conditions and enhanced quantum…
The surfaces of antimony are characterized by the presence of spin-split states within the projected bulk band gap and the Fermi contour is thus expected to exhibit a spin texture. Using spin-resolved density functional theory calculations,…
We report spin-polarized scanning tunneling microscopy measurements of an Anderson impurity system in MoS$_{2}$ mirror twin boundaries, where both the quantum confined impurity state and the Kondo resonance resulting from the interaction…
The correlation holes for densities of equal and opposite spin around a test electron are determined from the Schr\"{o}dinger equation with proper boundary conditions. The traditional "exchange" term follows from the boundary condition…
The electronic and magnetic properties of ferromagnetic doped manganites are investigated by means of model tight-binding and \textit{ab initio} self-interaction corrected local spin density approximation calculations. It is found that the…
By means of ab initio calculations and spin-polarized scanning tunneling microscopy experiments we show how to manipulate the local spin-polarization of a ferromagnetic surface by creating a complex energy dependent magnetic structure. We…
The quasi-one-dimensional bond-alternating S=1 quantum antiferromagnet NTENP is studied by single crystal inelastic neutron scattering. Parameters of the measured dispersion relation for magnetic excitations are compared to existing…
We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular averages of the corresponding exchange and correlation…
We provide a complete and systematic first-principles study of the thermodynamic stability, structural parameters, and magnetic properties of the T1 non-collinear antiferromagnetic L1$_2$-IrMn$_3$ surface and L1$_2$-IrMn$_3$/Fe…
The density functional theory (DFT) is used in a study of point defects on both UN (001) surface and sub-surface layers. We compare results for slabs of different thicknesses (both perfect and containing nitrogen or uranium vacancies) with…
We consider tunneling transport through a Mn$_{12}$ molecular magnet using spin density functional theory. A tractable methodology for constructing many-body wavefunctions from Kohn-Sham orbitals allows for the determination of…
Spin states of two-dimensional Wigner clusters are considered at low temperatures, when all electrons are in ground coordinate states. The spin subsystem behavior is determined by antiferromagnetic exchange integrals. The spin states in…
An attractive feature of magnetic adatoms and molecules for nanoscale applications is their superparamagnetism, the preferred alignment of their spin along an easy axis preventing undesired spin reversal. The underlying magnetic anisotropy…
In this paper we present results of our calculations of the non-collinear spin density distribution in the systems with frustrated triangular magnetic structure (Mn-based antiperovskite compounds, Mn_{3}AN (A=Ga, Zn)) in the ground state…
We study energetic, magnetic, and electronic properties of diluted substitutional Mn-pairs on the reconstructed $(001)$ GaAs surfaces. The studies are based on first-principles calculations in the framework of the density functional theory.…
A spin-1/2 Anderson impurity in a semiconductor quantum well with Rashba and Dresselhaus spin-orbit couplings is studied by using a variational wave function method. The local magnetic moment is found to be quenched at low temperatures. The…
We present a theoretical study of diluted magnetic semiconductors that treats the local sp-d exchange interaction J between the itinerant carriers and the Mn d electrons within a realistic band structure and goes beyond previous mean-field…
Many-electron systems confined to a quasi-1D geometry by a cylindrical distribution of positive charge have been investigated by density functional computations in the unrestricted local spin density approximation. Our investigations have…
The electronic structure and magnetic properties of a single Fe adatom on a CuN surface have been studied using density functional theory in the local spin density approximation (LSDA), the LSDA+U approach and the local density…