581 research outputs found
Electronic structure of triangular, hexagonal and round graphene flakes near the Fermi level
The electronic shell structure of triangular, hexagonal and round graphene
quantum dots (flakes) near the Fermi level has been studied using a
tight-binding method. The results show that close to the Fermi level the shell
structure of a triangular flake is that of free massless particles, and that
triangles with an armchair edge show an additional sequence of levels ("ghost
states"). These levels result from the graphene band structure and the plane
wave solution of the wave equation, and they are absent for triangles with an
zigzag edge. All zigzag triangles exhibit a prominent edge state at the Fermi
level, and few low-energy conduction electron states occur both in triangular
and hexagonal flakes due to symmetry reasons. Armchair triangles can be used as
building blocks for other types of flakes that support the ghost states. Edge
roughness has only a small effect on the level structure of the triangular
flakes, but the effect is considerably enhanced in the other types of flakes.
In round flakes, the states near the Fermi level depend strongly on the flake
radius, and they are always localized on the zigzag parts of the edge
Rectangular quantum dots in high magnetic fields
We use density-functional methods to study the effects of an external
magnetic field on two-dimensional quantum dots with a rectangular hard-wall
confining potential. The increasing magnetic field leads to spin polarization
and formation of a highly inhomogeneous maximum-density droplet at the
predicted magnetic field strength. At higher fields, we find an oscillating
behavior in the electron density and in the magnetization of the dot. We
identify a rich variety of phenomena behind the periodicity and analyze the
complicated many-electron dynamics, which is shown to be highly dependent on
the shape of the quantum dot.Comment: 6 pages, 6 figures, submitted to Phys. Rev.
Electronic structure of rectangular quantum dots
We study the ground state properties of rectangular quantum dots by using the
spin-density-functional theory and quantum Monte Carlo methods. The dot
geometry is determined by an infinite hard-wall potential to enable comparison
to manufactured, rectangular-shaped quantum dots. We show that the electronic
structure is very sensitive to the deformation, and at realistic sizes the
non-interacting picture determines the general behavior. However, close to the
degenerate points where Hund's rule applies, we find spin-density-wave-like
solutions bracketing the partially polarized states. In the
quasi-one-dimensional limit we find permanent charge-density waves, and at a
sufficiently large deformation or low density, there are strongly localized
stable states with a broken spin-symmetry.Comment: 8 pages, 9 figures, submitted to PR
High-resolution Local Gravity Model of the South Pole of the Moon from GRAIL Extended Mission Data
We estimated a high-resolution local gravity field model over the south pole of the Moon using data from the Gravity Recovery and Interior Laboratory's extended mission. Our solution consists of adjustments with respect to a global model expressed in spherical harmonics. The adjustments are expressed as gridded gravity anomalies with a resolution of 1/6deg by 1/6deg (equivalent to that of a degree and order 1080 model in spherical harmonics), covering a cap over the south pole with a radius of 40deg. The gravity anomalies have been estimated from a short-arc analysis using only Ka-band range-rate (KBRR) data over the area of interest. We apply a neighbor-smoothing constraint to our solution. Our local model removes striping present in the global model; it reduces the misfit to the KBRR data and improves correlations with topography to higher degrees than current global models
Using models of the ocean's mean dynamic topography to identify errors in coastal geodetic levelling
Identifying errors (blunders and systematic errors) in coastal geodetic levelling networks has often been problematic. This is because (1) mean sea level (MSL) at tide gauges cannot be directly compared to height differences from levelling because the geoid/quasigeoid and MSL are not parallel, being separated by the ocean’s mean dynamic topography (MDT) and (2) the lack of redundancy at the edge of the levelling network. This paper sets out a methodology to independently identify blunders and/or systematic errors (over long distances) in geodetic levelling using MDT models to account for the separation between the geoid/quasigeoid and MSL at tide gauges. This method is then tested in a case study using an oceanographic MDT model, MSL observations, GNSS data and a quasigeoid model. The results are significant because the errors found could not be detected by standard levelling misclosure checks alone, with supplementary data from an MDT model, with cross-validation from GNSS-quasigeoid allowing their detection. In addition, it appears that an oceanographic-only MDT is as effective as GNSS and a quasigeoid model for detecting levelling errors, which could be particularly useful for countries with coastal levelling errors in their levelling networks that cannot be identified by conventional levelling closure checks
Electronic resonance states in metallic nanowires during the breaking process simulated with the ultimate jellium model
We investigate the elongation and breaking process of metallic nanowires
using the ultimate jellium model in self-consistent density-functional
calculations of the electron structure. In this model the positive background
charge deforms to follow the electron density and the energy minimization
determines the shape of the system. However, we restrict the shape of the wires
by assuming rotational invariance about the wire axis. First we study the
stability of infinite wires and show that the quantum mechanical
shell-structure stabilizes the uniform cylindrical geometry at given magic
radii. Next, we focus on finite nanowires supported by leads modeled by
freezing the shape of a uniform wire outside the constriction volume. We
calculate the conductance during the elongation process using the adiabatic
approximation and the WKB transmission formula. We also observe the correlated
oscillations of the elongation force. In different stages of the elongation
process two kinds of electronic structures appear: one with extended states
throughout the wire and one with an atom-cluster like unit in the constriction
and with well localized states. We discuss the origin of these structures.Comment: 11 pages, 8 figure
Development of a Synthetic Earth Gravity Model by 3D mass optimisation based on forward modelling
Several previous Synthetic Earth Gravity Model (SEGM) simulations are based on existing information about the Earth’s internal mass distribution. However, currently available information is insufficient to model the Earth’s anomalous gravity field on a global scale. The low-frequency information is missing when modelling only topography, bathymetry and crust (including the Mohorovičić discontinuity), but the inclusion of information on the mantle and core does not seem to significantly improve this situation. This paper presents a method to determine a more realistic SEGM by considering simulated 3D mass distributions within the upper mantle as a proxy for all unmodelled masses within the Earth.The aim is to improve an initial SEGM based on forward gravity modelling of the topography, bathymetry and crust such that the missing low-frequency information is now included. The simulated 3D mass distribution has been derived through an interactive and iterative mass model optimisation algorithm, which minimises geoid height differences with respect to a degree-360 spherical harmonic expansion of the EGM2008 global external gravity field model. We present the developed optimisation algorithm by applying it to the development of a global SEGM that gives a reasonably close fit to EGM2008, and certainly closer than a SEGM based only on the topography, bathymetry and crust
From evidence to action: applying gender mainstreaming to pay gaps in the Welsh public sector
Progress on reducing gender disparities remains painfully slow, despite efforts to identify the determinants of gender pay gaps and specify size and shape. Recent studies highlight the need for a more nuanced account of the way that public policy shapes organizational responses and insights into the types of organizational practices that diminish pay disparities. In response, this research reports on an action research intervention in three large Welsh public organizations, subject to a unique statutory equality duty. Data demonstrate how an evidence‐based gender mainstreaming approach facilitated the development of a ‘no blame’ strategy, which legitimized organizational proactivity through collaborative and empowering change management processes. The research contributes to the study of gender pay gaps by demonstrating that gender mainstreaming, with facilitative local conditions and supportive public policy, shapes action on gender segregation, with particular success in women's low‐paid employment. Conclusions highlight theoretical and policy implications arising from the research
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