Related papers: Shape effect on the valley splitting in lead selen…
We use an empirical tight-binding approach to calculate electron and hole states in [111]-grown PbSe nanowires. We show that the valley-orbit and spin-orbit splittings are very sensitive to the atomic arrangement within the nanowire…
Lead Selenide (PbSe) is an attractive `IV-VI' semiconductor material to design optical sensors, lasers and thermoelectric devices. Improved fabrication of PbSe nanowires (NWs) enables the utilization of low dimensional quantum effects. The…
Atomistic sp3d5s* tight-binding theory of PbSe and PbS nanocrystals is developed. It is demonstrated, that the valley splittings of confined electrons and holes strongly and peculiarly depend on the geometry of a nanocrystal. When the…
We study the effect of nanowire shape on mechanical properties and deformation behaviour of Cu nanowires using atomistic simulations. Simulations were carried out on $[100]$ nanowires with different shapes such as triangular, square,…
The optical properties of rod-like two-layer nanoparticles are studied using the notions of equivalent prolate spheroid. The calculations are presented for frequency dependencies for polarizability and the absorption and scattering…
We have performed microscopic calculations of the Rayleigh scattering cross section for arbitrary metallic single-walled carbon nanotubes. The focus of our investigations lies on excitonic effects and their influence on the characteristic…
Inspired by recent progress in fabricating precisely zigzag-edged graphene nanoribbons and the observation of edge magnetism, we find that spin polarized edge modes with well-defined valley index can exist in a bulk energy gap opened by a…
The effect of projectile shape on cross sections and momentum distributions of fragments from heavy ion reactions is studied. We propose a new approach that implements the underlying symmetries of each isotope with a few parameters directly…
The Richardson exact solution for the reduced BCS Hamiltonian is applied to examine how sensitive are the pairing characteristics (condensation energy, spectroscopic gap, parity gap) to a specific configuration of single-electron energy…
The effect of smooth shape changes of metallic nanoparticles on localized surface plasmon resonances is assessed with a boundary integral equation method. The boundary integral equation method allows compact expressions of nanoparticle…
A systematic micromagnetic study of the morphological characteristic effects over the magnetic static properties of Co-based complex shaped nanowires is presented. The relevance of each characteristic size (i.e. length L, diameter d, and…
Since the last century, considerable efforts have been devoted to the study of valley-degenerate narrow gap semiconductors, such as the Pb$_{1-x}$Sn$_x$Se alloy. This material possesses band edges at the $L$-points of their Brillouin zone,…
The size effect in ferroelectrics is treated as a competition between the geometrical symmetry of the ferroelectric sample and its crystalline symmetry. The manifestation of this competition is shown to be polarization rotation, which is…
By means of a multiband effective mass Hamiltonian, a theoretical characterization of the effect of the geometrical features of the confinement profile --in particular, a longitudinal groove-- on the subbands dispersion and spin-related…
In the framework of four-band envelope-function formalism, developed earlier for spherical semiconductor nanocrystals, we study the electronic structure and optical properties of quantum-confined lead-salt (PbSe and PbS) nanowires (NWs)…
Bandstructure effects in the electronic transport of strongly quantized silicon nanowire field-effect-transistors (FET) in various transport orientations are examined. A 10-band sp3d5s* semi-empirical atomistic tight-binding model coupled…
We use the separation of variables and T-matrix methods to calculate the optical properties of homogeneous spheroids with refractive indices from m = 1.3+0.0i up to 3+4i. It is found that the extinction cross-sections for highly absorbing…
We study the shape resonance effect associated with the confined transverse superconducting modes of a cylindrical nanowire in the clean limit. Results of numerical investigations of the Bogoliubov-de Gennes equations show significant…
We report ab initio investigations of hexagon-shaped, [111]/[0001] oriented III-V semiconductor nanowires with varying crystal structure, surface passivation, surface orientation, and diameter. Their stability is dominated by the free…
Vapor-liquid-solid (VLS) route and its variants are routinely used for scalable synthesis of semiconducting nanowires yet the fundamental growth processes remain unknown. Here, we employ atomic-scale computations based on model potentials…