相关论文: Spontaneous Appearance of Low-dimensional Magnetic…
We use first principles simulations to investigate the electronic properties of a set of carbon nanocages with a bipartite structure. These nanocages are exclusively formed by hexagonal and tetragonal rings and we show they feature frontier…
From electronic structure calculations, we find that carriers injected into dangling-bond atomic wires on the Si(001) surface will self-trap to form localised polaron states. The self-trapping distortion takes the form of a local…
Electronic states localized at domain walls between ferromagnetically ordered phases in two-dimensional electron systems are generated by moderate spin-orbit coupling. The spin carried by these states depends on the slope of the magnetic…
A c($3\sqrt{2} \times \sqrt{2}$) reconstructed structure of the Fe(001) surface with self-assembled C zigzag chains has been recently observed experimentally. Using ab initio density-functional calculations, we address the effect of the C…
We consider a semiconducting carbon nanotube (CNT) laying on a ferromagnetic insulating sub-strate with one end depassing the substrate and suspended over a metallic gate. We assume that the polarised substrate induces an exchange…
We investigate the effect of low-coordinated surface atoms on the defect-induced magnetism in MgO nanocrystallites using hybrid density functional theory calculations. It has been demonstrated that when Mg vacancies are introduced at the…
A comprehensive first-principles theoretical study of the electronic properties and half-metallic nature of finite zigzag carbon nanotubes is presented. Unlike previous reports, we find that all nanotubes studied present a spin-polarized…
We study a simple microscopic model for thin, ferromagnetic, metallic layers on semi-infinite bulk superconductor. We find that for certain values of the exchange spliting, on the ferromagnetic side, the ground states of such structures…
Unconventional d-wave superconductors with pair-breaking edges are predicted to have ground states with spontaneously broken time-reversal and translational symmetries. We use the quasiclassical theory of superconductivity to demonstrate…
Colloidal nanoplatelets - quasi-two-dimensional sheets of semiconductor exhibiting efficient, spectrally pure fluorescence - form when liquid-phase syntheses of spherical quantum dots are modified. Despite intense interest in their…
We introduce two simple models to study the effect of a spatially localized transverse electric field on the low-energy electronic structure of semiconducting carbon nanotubes. Starting from the Dirac Hamiltonian for the low energy states…
While ferromagnetism at relatively high temperatures is seen in diluted magnetic semiconductors such as Ga_(1-x)Mn_(x)As, doped semiconductors without magnetic ions have not shown evidence for ferromagnetism. Using a generalized disordered…
Possibility of a ferromagnetic semiconductor single wall carbon nanotube (SWCNT), where ferromagnetism is due to coupling between doped magnetic impurity on a zigzag SWCNT and electrons spin, is investigate. We found, in the weak…
We investigate the electronic and magnetic properties of hydrogenated carbon nanotubes using ab initio spin-polarized calculations within both the local density approximation (LDA) and the generalized gradient approximation (GGA). We find…
A \pi-electron network in nanographite systems with zigzag edges exhibits strongly localized edge states, which are expected to have peculiar properties. We study effects of electron-electron interactions on ground-state properties of the…
We experimentally verify the existence of two model-type magnetic ground states which were previously predicted but so far unobserved. We find them in Mn monolayers on the Re(0001) surface using spin-polarized scanning tunneling microscopy.…
We study numerically the ground state magnetization for clusters of interacting electrons in two dimensions in the regime where the single particle wavefunctions are localized by disorder. It is found that the Coulomb interaction leads to a…
We examine the structural properties of free standing II-VI and III-V semiconductors at the monolayer limit within first principle density functional theory calculations. A non-polar buckled structure was found to be favoured over a polar…
We study here polaron (soliton) states of electrons or holes in a model describing carbon-type nanotubes. In the Hamiltonian of the system we take into account the electron-phonon interaction that arises from the deformation dependencies of…
Graphene nanoribbons with zigzag terminated edges have a magnetic ground state characterized by edge ferromagnetism and antiferromagnetic inter edge coupling. This broken symmetry state is degenerate in the spin orientation and we show…