Search results for " GAP"
showing 10 items of 811 documents
First-principles investigation of the bulk and low-index surfaces ofMoSe2
2014
In the framework of density functional theory, the geometry, electronic structure, and magnetic properties of the bulk and low index surfaces of $\mathrm{Mo}{\mathrm{Se}}_{2}$ have been studied. We have carried out calculations with various exchange-correlation functionals to select one which is able to describe the van der Waals (vdW) interactions and gives the best geometry compared with experiments. The inclusion of the vdW forces, however, does not guarantee a reliable description for the geometry of this compound: some vdW functionals strongly overestimate the interlayer distance, similar to GGA functionals. Our investigation shows that the recently introduced optB86b-vdW functional yi…
Spontaneous magnetism of quantum dot lattices.
2003
The magnetism of square lattices of quantum dots with up to 12 electrons per dot is studied using the spin-density functional formalism. At small values of the lattice constant, all lattices are nonmagnetic and gapless. When the lattice constant is increased, the shell structure of the single dots governs the magnetism of the lattice. At closed shells, the lattices are nonmagnetic and have a gap at the Fermi level. At the beginning and at the end of a shell, they become ferromagnetic and stay gapless up to large values of the lattice constant. Antiferromagnetism was observed only at midshell after a band gap was opened.
Optical studies of gap, hopping energies, and the Anderson-Hubbard parameter in the zigzag-chain compoundSrCuO2
2001
We have investigated the electronic structure of the zig-zag ladder (chain) compound ${\mathrm{SrCuO}}_{2}$ combining polarized optical absorption, reflection, photoreflectance, and pseudo-dielectric-function measurements with the model calculations. These measurements yield an energy gap of 1.42 eV (1.77 eV) at 300 K along (perpendicular to) the Cu-O chains. We have found that the lowest-energy gap, the correlation gap, is temperature independent. The electronic structure of this oxide is calculated using both the local-spin-density approximation with gradient correction method and the tight-binding theory for the correlated electrons. The calculated density of electronic states for noncor…
Role of dispersion on zero-average-index bandgaps
2009
We consider periodic multilayers combining ordinary positive index materials and dispersive metamaterials with negative index in some frequency ranges. These structures can exhibit photonic bandgaps which, in contrast with the usual Bragg gaps, are not based on interference mechanisms. Changing the dispersion models for the constituent metamaterial, we investigate its role in the production of zero-average-index bandgaps. In particular, we show the effect of each constitutive parameter on both bandgap edges. Finally, we give some approximated analytical expressions in terms of average parameters for the determination of the upper and lower limits of the zero-average refractive-index bandgap…
Spin-orbit and tensor mean-field effects on spin-orbit splitting including self-consistent core polarizations
2008
A new strategy of fitting the coupling constants of the nuclear energy density functional is proposed, which shifts attention from ground-state bulk to single-particle properties. The latter are analyzed in terms of the bare single-particle energies and mass, shape, and spin core-polarization effects. Fit of the isoscalar spin-orbit and both isoscalar and isovector tensor coupling constants directly to the f5/2-f7/2 spin-orbit splittings in 40Ca, 56Ni, and 48Ca is proposed as a practical realization of this new programme. It is shown that this fit requires drastic changes in the isoscalar spin-orbit strength and the tensor coupling constants as compared to the commonly accepted values but i…
Sub-Diffractive Band-Edge Solitons in Bose-Einstein Condensates in Periodic Potentials
2006
A new type of matter wave diffraction management is presented that leads to sub-diffractive soliton-like structures. The proposed management technique uses two counter-moving, identical periodic potentials (e.g. optical lattices). For suitable lattice parameters a novel type of atomic band-gap structure appears in which the effective atomic mass becomes infinite at the lowest edge of an energy band. This way normal matter-wave diffraction (proportional to the square of the atomic momentum) is replaced by fourth-order diffraction, and hence the evolution of the system becomes sub-diffractive.
X-ray spectroscopy of the Hertzsprung-gap giant star 31 Com, observed with XMM-Newton
2003
We have analysed the XMM-Newton X-ray spectra of the yellow giant 31 Com with the aim of deriving information on the coronal structures of this archetypical Hertzsprung-gap star. To determine the emission measure distribution vs. temperature, EM(T), and the elemental abundances of the coronal plasma, with an accurate line-based approach, we have developed a new method for simple and accurate line measurements, based on rebinning and co-adding the two RGS spectra. We have reconstructed the EM(T) independently with both APED and CHIANTI atomic databases in order to investigate possible differences in the final outcome of the analysis, and we have obtained consistent results. The derived emiss…
Crystal symmetry and pressure effects on the valence band structure ofγ-InSe andε-GaSe: Transport measurements and electronic structure calculations
2005
This paper reports on Hall effect and resistivity measurements under high pressure up to 3--4 GPa in $p$-type $\ensuremath{\gamma}$-indium selenide (InSe) (doped with As, Cd, or Zn) and $\ensuremath{\epsilon}$-gallium selenide (GaSe) (doped with N or Sn). The pressure behavior of the hole concentration and mobility exhibits dramatic differences between the two layered compounds. While the hole concentration and mobility increase moderately and monotonously in $\ensuremath{\epsilon}$-GaSe, a large increase of the hole concentration near 0.8 GPa and a large continuous increase of the hole mobility, which doubled its ambient pressure value by 3.2 GPa, is observed in $\ensuremath{\gamma}$-InSe.…
m-bonacci metamaterial multilayers: location of the zero-average index bandgap edges
2009
We examine quasiperiodic multilayers arranged in m-bonacci sequences, which combine ordinary positiveindex materials and dispersive metamaterials with negative index in a certain frequency range. When the volume-averaged refractive index of the nonperiodic multilayer equals zero, the structure does not propagate light radiation and exhibits a forbidden band. We identify some analytical expressions to determine the upper and lower limits of the above zero-average refractive-index bandgap. We recognize that these limits are not explicitly dependent on the geometrical parameters of the stack of layers. © 2009 Optical Society of America. Fil: Monsoriu, J.A.. Universidad Politécnica de Valencia;…
Notice of Removal: Stochastic generation of the phononic band structure of lossy and infinite crystals
2017
The concept of the band structure is central to the field of phononic crystals. Indeed, capturing the dispersion of Bloch waves — the eigenmodes of propagation in periodic media — gives invaluable information on allowed propagation modes, their phase and group velocities, local resonances, and band gaps. Band structures are usually obtained by solving an eigenvalue problem defined on a closed and bounded domain, which results in a discrete spectrum. There are at least two cases, however, that cannot be reduced to a simple eigenvalue problem: first, when materials showing dispersive loss are present and second, when the unit-cell extends beyond any bound, as in the case of phononic crystal o…