Related papers: Systematics of spin-polarized small Na clusters
We consider electrons in tubular nanowires with prismatic geometry and infinite length. Such a model corresponds to a core-shell nanowire with an insulating core and a conductive shell. In a prismatic shell the lowest energy states are…
Ab initio molecular dynamics is used to study deformations of sodium clusters at temperatures $500\cdots 1100$ K. Open-shell Na$_{14}$ cluster has two shape isomers, prolate and oblate, in the liquid state. The deformation is stabilized by…
We utilize an exact variational numerical procedure to calculate the ground state properties of a polaron in the presence of a Rashba-like spin orbit interaction. Our results corroborate with previous work performed with the Momentum…
The materials with spin-polarized electronic states have attracted a huge amount of interest due to their potential applications in spintronics. Based on first-principles calculations, we study the electronic characteristics of a series of…
The optimized structure and electronic properties of neutral and singly charged magnesium clusters have been investigated using ab initio theoretical methods based on density-functional theory and systematic post-Hartree-Fock many-body…
The binding of clusters of metal nanoparticles is partly electrostatic. We address difficulties in calculating the electrostatic energy when high charging energies limit the total charge to a single quantum, entailing unequal potentials on…
The correlation and fluctuation of both entangled electrons and spin-polarized pairs affected by two rotating magnetic fields in a setup proposed by J. Carlos Egues etc. (Phys. Rev. Lett. {\bf 89}(2002) 176401) are studied theoretically by…
The electronic structure of cerium oxide is investigated here using a combination of ab initio one-electron theory and many-body physics, with emphasis on the nature of the 4f electron shell of cerium ions. We propose to use the…
We introduce a global optimization approach for binary clusters that for a given cluster size is able to directly search for the structure and composition that has the greatest stability. We apply this approach to binary Lennard-Jones…
In this paper, current-induced spin polarization for two-dimensional electron gas with a general spin-orbit interaction is investigated. For isotropic energy spectrum, the in-plane current-induced spin polarization is found to be dependent…
Some of the synthesis methods and physical properties of iron-oxide based magnetic nanoparticles such as Fe3-xO4 and CoxFe3-xO4 are reviewed because of their interest in health, environmental applications, and ultra-high-density magnetic…
Spin-polarized DFT has been used to perform a comprehensive study of the geometric structures and electronic properties for isolated M4X4 nano-clusters between their two stable isomers - a planar rhombus-like 2D structure and a cubane-like…
A detailed simple model is applied to study a metallic cluster. It is assumed that the ions and delocalized electrons are distributed randomly throughout the cluster. The delocalized electrons are assumed to be degenerate. A spherical ball…
Using many-body configuration interaction techniques we show that Wigner crystallization occurs at the zigzag edges of graphene at surprisingly high electronic densities up to $0.8$ $\mbox{nm}^{-1}$. In contrast with one-dimensional…
We present the fourth in a series of papers detailing our SPH study of the effects of ionizing feedback from O--type stars on turbulent star forming clouds. Here, we study the effects of photoionization on a series of initially partially…
First principles calculations are used to establish that the electronic structure of graphene ribbons with zig-zag edges is unstable with respect to magnetic polarisation of the edge states. The magnetic interaction between edge states is…
Spin orbit coupling changes graphene, in principle, into a two-dimensional topological insulator, also known as quantum spin Hall insulator. One of the expected consequences is the existence of spin-filtered edge states that carry…
Spin transport phenomena in solid materials suffer limitations from spin relaxation associated to disorder or lack of translational invariance. Ultracold atoms, free of that disorder, can provide a platform to observe phenomena beyond the…
One and two-electron systems confined in a single and coupled quantum dots defined within a nanowire with a finite radius are studied in the context of spin-orbit coupling effects. Anisotropy of the spin-orbit interaction is discussed in…
Packing problems, which ask how to arrange a collection of objects in space to meet certain criteria, are important in a great many physical and biological systems, where geometrical arrangements at small scales control behaviour at larger…