20,090 research outputs found
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
Scaling behavior of spin transport in hydrogenated graphene
We calculate the spin transport of hydrogenated graphene using the
Landauer-B\"uttiker formalism with a spin-dependent tight-binding Hamiltonian.
The advantages of using this method is that it simultaneously gives information
on sheet resistance and localization length as well as spin relaxation length.
Furthermore, the Landauer-B\"uttiker formula can be computed very efficiently
using the recursive Green's function technique. Previous theoretical results on
spin relaxation time in hydrogenated graphene have not been in agreement with
experiments. Here, we study magnetic defects in graphene with randomly aligned
magnetic moments, where interference between spin-channels is explicitly
included. We show that the spin relaxation length and sheet resistance scale
nearly linearly with the impurity concentration. Moreover, the spin relaxation
mechanism in hydrogenated graphene is Markovian only near the charge neutrality
point or in the highly dilute impurity limit
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
The ac-Driven Motion of Dislocations in a Weakly Damped Frenkel-Kontorova Lattice
By means of numerical simulations, we demonstrate that ac field can support
stably moving collective nonlinear excitations in the form of dislocations
(topological solitons, or kinks) in the Frenkel-Kontorova (FK) lattice with
weak friction, which was qualitatively predicted by Bonilla and Malomed [Phys.
Rev. B{\bf 43}, 11539 (1991)]. Direct generation of the moving dislocations
turns out to be virtually impossible; however, they can be generated initially
in the lattice subject to an auxiliary spatial modulation of the on-site
potential strength. Gradually relaxing the modulation, we are able to get the
stable moving dislocations in the uniform FK lattice with the periodic boundary
conditions, provided that the driving frequency is close to the gap frequency
of the linear excitations in the uniform lattice. The excitations have a large
and noninteger index of commensurability with the lattice (suggesting that its
actual value is irrational). The simulations reveal two different types of the
moving dislocations: broad ones, that extend, roughly, to half the full length
of the periodic lattice (in that sense, they cannot be called solitons), and
localized soliton-like dislocations, that can be found in an excited state,
demonstrating strong persistent internal vibrations. The minimum (threshold)
amplitude of the driving force necessary to support the traveling excitation is
found as a function of the friction coefficient. Its extrapolation suggests
that the threshold does not vanish at the zero friction, which may be explained
by radiation losses. The moving dislocation can be observed experimentally in
an array of coupled small Josephson junctions in the form of an {\it inverse
Josephson effect}, i.e., a dc-voltage response to the uniformly applied ac bias
current.Comment: Plain Latex, 13 pages + 9 PostScript figures. to appear on Journal of
Physics: condensed matte
The digital challenge for multinational mobile network operators. More marginalization or rejuvenation?
Multinational mobile network operators (MNOs) rapidly emerged in the early 1990s and for a decade and a half were the dominant actors in their industry. We analyze the development and competitiveness of a typical MNO, Telenor. With the introduction of 4G in 2010, we show that Telenor, like other MNOs largely failed to respond to the opportunity that connectivity provided to develop digital services. Instead, these were developed by technology platform companies such as Amazon, Google and Microsoft. Telenor became a marginalized supplier of standardized internet connectivity. We argue that the ‘decade of lost opportunity’ (2010-2020) for Telenor was a product of a lack of ‘recombinant firm-specific advantages’ (FSARs). With the launch of 5G, an emerging global digital infrastructure, this sidelining is set to intensify unless Telenor responds to this new opportunity by developing B2B digital services. We analyze the FSARs that are necessary for a successful transition of capturing the value that 5G provides and the degree to which they are present, or potentially present, in Telenor
A Mesolithic settlement site at Howick, Northumberland: a preliminary report
Excavations at a coastal site at Howick during 2000 and 2002 have revealed evidence for a substantial Mesolithic settlement and a Bronze Age cist cemetery. Twenty one radiocarbon determinations of the earlier eighth millennium BP (Cal.) indicate that the Mesolithic site is one of the earliest known in northern Britain. An 8m core of sediment was recovered from stream deposits adjacent to the archaeological site which provides information on local environmental conditions. Howick offers a unique opportunity to understand aspects of hunter-gatherer colonisation and settlement during a period of rapid palaeogeographical change around the margins of the North Sea basin, at a time when it was being progressively inundated by the final stages of the postglacial marine transgression. The cist cemetery will add to the picture of Bronze Age occupation of the coastal strip and again reveals a correlation between the location of Bronze Age and Mesolithic sites which has been observed elsewhere in the region
Excitation of zero-frequency magnetic field-aligned currents by ionospheric heating
Time-dependent, three-dimensional numerical simulations of the reduced MHD model describing shear Alfve ́n waves in the magnetosphere provide an interesting prediction superficially similar to results of several iono- spheric heating experiments conducted at high altitudes. In these experiments, heating of the ionospheric F-region with a constant/zero-frequency beam of HF waves causes luminous structures in the ionosphere in the form of a ring or a solid spot with a characteristic size comparable to the size of the heated spot. Simulations suggest that spots/rings or similar optical appearance might be associated with a magnetic field- aligned current system produced by the ionospheric heat- ing. Two of the most interesting features of this current system are (1) strong localization across the ambient mag- netic field and (2) distinctive non-symmetrical luminous sig- natures (ring/spot) in magnetically conjugate locations in the ionosphere
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