Related papers: Systematics of spin-polarized small Na clusters
The paper presents a first attempt to look at the peculiarities of open-shell systems from the viewpoint of spin-orbit coupling. Contrary to common opinion of a negligible role of the issue for light element molecules, presented in the…
We present theoretical evidence, based on total-energy first-principles calculations, of the existence of spin-polarized states well localized at and extended along the edges of bare zigzag boron nitride nanoribbons. Our calculations…
Because of the peculiar coupling of spatial and spin degrees of freedom effected by the Rashba spin-orbit interaction, lateral confinement of a two dimensional electronic system leads to a finite transverse spin polarization near the…
Electron elastic scattering off a spin-polarized Cr(...$3d^{5}4s^{1}$, $^{7}S$) atom is theoretically studied in the region of electron energies up to $15$ eV using both a one-electron "spin-polarized" Hartree-Fock and multielectron…
The line shape of the plasma resonance in both neutral and charged small sodium clusters is calculated. The overall properties of the multipeak structure observed in the photoabsorption cross section of spherical Na_8 and Na_20 neutral…
We present a numerical treatment of a spin-orbital polaron model for Na_xCoO_2 at small hole concentration (0.7 < x < 1). We demonstrate how the polarons account for the peculiar magnetic properties of this layered compound: They explain…
We find that spin-polarized ground states emerge in nanofacets which are self-organized on SiC (0001) surfaces. Our large-scale density-functional calculations reveal that the nanofacet formed by bunching of single bilayer steps generates…
We study the optimal packing of short, hard spherocylinders confined to lie tangential to a spherical surface, using simulated annealing and molecular dynamics simulations. For clusters of up to twelve particles, we map out the changes in…
The existence and localization of collective electron states for nanodiamond particles were studied both by solving a one-particle one-dimensional Schr\"odinger equation in the Kronig-Penney potential and by ab initio computations of ground…
Nuclear spins and paramagnetic centers in a solid randomly group to form clusters featuring nearly-degenerate, hybrid states whose dynamics are central to processes involving nuclear spin-lattice relaxation and diffusion. Their…
ew-electron systems confined in quasi one-dimensional quantum dots are studied by the configuration interaction approach. We consider the parity symmetry of states forming Wigner molecules in large quantum dots and find that for the…
A novel spin filtering in two-dimensional electron system with nonuniform spin-orbit interactions (SOI) is theoretically studied. The strength of SOI is modulated perpendicular to the charge current. A spatial gradient of effective magnetic…
The spin coherence phenomena and the possibility of their observation in nanomagnetic insulators attract more and more attention in the last several years. Recently it has been shown that in these systems in large transverse magnetic field…
Results of a theoretical study of the electronic properties of (Si)Ge and (Ge)Si core/shell nanoparticles, homogeneous SiGe clusters, and Ge$|$Si clusters with an interphase separating the Si and Ge atoms are presented. In general, (Si)Ge…
The influence of spin-orbit interaction on chemical bonds in elemental solids and homonuclear dimers is analyzed by means of density-functional-theory calculations. Employing highly precise all-electron full-potential methodology, our…
Chirality induced spin selectivity, discovered about two decades ago in helical molecules, is a non-equilibrium effect that emerges from the interplay between geometrical helicity and spin-orbit interactions. Several model Hamiltonians…
We have investigated the dipole charge- and spin-density response of few-electron two-dimensional concentric nanorings as a function of the intensity of a perpendicularly applied magnetic field. We show that the dipole response displays…
We propose a novel scheme to efficiently polarize and manipulate the electron spin in a quantum dot. This scheme is based on the spin-orbit interaction and it possesses following advantages: (1) The direction and the strength of the spin…
Absorption spectra of closed-shell Na_2, Na_3+, Na_4, Na_5+, Na_6, Na_7+, and Na_8 clusters are calculated using a recently implemented conserving linear response method. In the framework of a quasiparticle approach, we determine…
We present ab initio perturbed ion calculations on the structures and relative stabilities of doubly charged [(NaCl)_m(Na)_2]2+ cluster ions. The obtained stabilities show excellent agreement with experimental abundances obtained from mass…