19,630 research outputs found
Dirac model of electronic transport in graphene antidot barriers
In order to use graphene for semiconductor applications, such as transistors
with high on/off ratios, a band gap must be introduced into this otherwise
semimetallic material. A promising method of achieving a band gap is by
introducing nanoscale perforations (antidots) in a periodic pattern, known as a
graphene antidot lattice (GAL). A graphene antidot barrier (GAB) can be made by
introducing a 1D GAL strip in an otherwise pristine sheet of graphene. In this
paper, we will use the Dirac equation (DE) with a spatially varying mass term
to calculate the electronic transport through such structures. Our approach is
much more general than previous attempts to use the Dirac equation to calculate
scattering of Dirac electrons on antidots. The advantage of using the DE is
that the computational time is scale invariant and our method may therefore be
used to calculate properties of arbitrarily large structures. We show that the
results of our Dirac model are in quantitative agreement with tight-binding for
hexagonal antidots with armchair edges. Furthermore, for a wide range of
structures, we verify that a relatively narrow GAB, with only a few antidots in
the unit cell, is sufficient to give rise to a transport gap
Electronic and optical properties of graphene antidot lattices: Comparison of Dirac and tight-binding models
The electronic properties of graphene may be changed from semimetallic to
semiconducting by introducing perforations (antidots) in a periodic pattern.
The properties of such graphene antidot lattices (GALs) have previously been
studied using atomistic models, which are very time consuming for large
structures. We present a continuum model that uses the Dirac equation (DE) to
describe the electronic and optical properties of GALs. The advantages of the
Dirac model are that the calculation time does not depend on the size of the
structures and that the results are scalable. In addition, an approximation of
the band gap using the DE is presented. The Dirac model is compared with
nearest-neighbour tight-binding (TB) in order to assess its accuracy. Extended
zigzag regions give rise to localized edge states, whereas armchair edges do
not. We find that the Dirac model is in quantitative agreement with TB for GALs
without edge states, but deviates for antidots with large zigzag regions.Comment: 15 pages, 7 figures. Accepted by Journal of Physics: Condensed matte
A library of ab initio Raman spectra for automated identification of 2D materials
Raman spectroscopy is frequently used to identify composition, structure and
layer thickness of 2D materials. Here, we describe an efficient
first-principles workflow for calculating resonant first-order Raman spectra of
solids within third-order perturbation theory employing a localized atomic
orbital basis set. The method is used to obtain the Raman spectra of 733
different monolayers selected from the computational 2D materials database
(C2DB). We benchmark the computational scheme against available experimental
data for 15 known monolayers. Furthermore, we propose an automatic procedure
for identifying a material based on an input experimental Raman spectrum and
illustrate it for the cases of MoS (H-phase) and WTe
(T-phase). The Raman spectra of all materials at different excitation
frequencies and polarization configurations are freely available from the C2DB.
Our comprehensive and easily accessible library of \textit{ab initio} Raman
spectra should be valuable for both theoreticians and experimentalists in the
field of 2D materialsComment: 17 pages, 7 figure
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Sand Penetration By High-Speed Projectiles
Tungsten projectiles were shot into sand at velocities between 600 and 2200 m/s. Penetration was maximum at about 775 m/s. Below that velocity, projectiles were apparently stabilized by a fin set. Above that velocity, projectiles were broken by transverse loads. High-speed penetration resulted in comminution of sand particles, reducing their size by about 1000 times.Mechanical Engineerin
Bubble coalescence in breathing DNA: Two vicious walkers in opposite potentials
We investigate the coalescence of two DNA-bubbles initially located at weak
segments and separated by a more stable barrier region in a designed construct
of double-stranded DNA. The characteristic time for bubble coalescence and the
corresponding distribution are derived, as well as the distribution of
coalescence positions along the barrier. Below the melting temperature, we find
a Kramers-type barrier crossing behaviour, while at high temperatures, the
bubble corners perform drift-diffusion towards coalescence. The results are
obtained by mapping the bubble dynamics on the problem of two vicious walkers
in opposite potentials.Comment: 7 pages, 4 figure
Commuting self-adjoint extensions of symmetric operators defined from the partial derivatives
We consider the problem of finding commuting self-adjoint extensions of the
partial derivatives {(1/i)(\partial/\partial x_j):j=1,...,d} with domain
C_c^\infty(\Omega) where the self-adjointness is defined relative to
L^2(\Omega), and \Omega is a given open subset of R^d. The measure on \Omega is
Lebesgue measure on R^d restricted to \Omega. The problem originates with I.E.
Segal and B. Fuglede, and is difficult in general. In this paper, we provide a
representation-theoretic answer in the special case when \Omega=I\times\Omega_2
and I is an open interval. We then apply the results to the case when \Omega is
a d-cube, I^d, and we describe possible subsets \Lambda of R^d such that
{e^(i2\pi\lambda \dot x) restricted to I^d:\lambda\in\Lambda} is an orthonormal
basis in L^2(I^d).Comment: LaTeX2e amsart class, 18 pages, 2 figures; PACS numbers 02.20.Km,
02.30.Nw, 02.30.Tb, 02.60.-x, 03.65.-w, 03.65.Bz, 03.65.Db, 61.12.Bt,
61.44.B
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