418 research outputs found
The quasiparticle band gap in the topological insulator Bi2Te3
We present a theoretical study of dispersion of states which form the bulk
band-gap edges in the three-dimensional topological insulator Bi2Te3. Within
density functional theory, we analyze the effect of atomic positions varying
within the error range of the available experimental data and approximation
chosen for the exchange-correlation functional on the bulk band gap and k-space
location of valence- and conduction-band extrema. For each set of the positions
with different exchange-correlation functionals, we show how many-body
corrections calculated within a one-shot GW approach affect the mentioned
characteristics of electronic structure of Bi2Te3. We thus also illustrate to
what degree the one-shot GW results are sensitive to the reference one-particle
band structure in the case of bismuth telluride. We found that for this
topological insulator the GW corrections enlarge the fundamental band gap and
for certain atomic positions and reference band structure bring its value in
close agreement with experiment.Comment: 12 pages, 6 figures, 5 table
Rashba split surface states in BiTeBr
Within density functional theory, we study bulk band structure and surface
states of BiTeBr. We consider both ordered and disordered phases which differ
in atomic order in the Te-Br sublattice. On the basis of relativistic ab-initio
calculations, we show that the ordered BiTeBr is energetically preferable as
compared with the disordered one. We demonstrate that both Te- and
Br-terminated surfaces of the ordered BiTeBr hold surface states with a giant
spin-orbit splitting. The Te-terminated surface-state spin splitting has the
Rashba-type behavior with the coupling parameter \alpha_R ~ 2 eV\AA.Comment: 8 pages, 7 figure
Statistics of randomly branched polymers in a semi-space
We investigate the statistical properties of a randomly branched
3--functional --link polymer chain without excluded volume, whose one point
is fixed at the distance from the impenetrable surface in a 3--dimensional
space. Exactly solving the Dyson-type equation for the partition function
in 3D, we find the "surface" critical
exponent , as well as the density profiles of 3--functional units
and of dead ends. Our approach enables to compute also the pairwise correlation
function of a randomly branched polymer in a 3D semi-space.Comment: 15 pages 7 figsures; section VII is slightly reorganized, discussion
is revise
Lamplighter model of a random copolymer adsorption on a line
We present a model of an AB-diblock random copolymer sequential
self-packaging with local quenched interactions on a one-dimensional infinite
sticky substrate. It is assumed that the A-A and B-B contacts are favorable,
while A-B are not. The position of a newly added monomer is selected in view of
the local contact energy minimization. The model demonstrates a
self-organization behavior with the nontrivial dependence of the total energy,
(the number of unfavorable contacts), on the number of chain monomers, :
for quenched random equally probable distribution of A- and
B-monomers along the chain. The model is treated by mapping it onto the
"lamplighter" random walk and the diffusion-controlled chemical reaction of
type with the subdiffusive motion of reagents.Comment: 8 pages, 5 figure
Spin-helical Dirac states in graphene induced by polar-substrate surfaces with giant spin-orbit interaction: a new platform for spintronics
Spintronics, or spin electronics, is aimed at efficient control and
manipulation of spin degrees of freedom in electron systems. To comply with
demands of nowaday spintronics, the studies of electron systems hosting giant
spin-orbit-split electron states have become one of the most important
directions providing us with a basis for desirable spintronics devices. In
construction of such devices, it is also tempting to involve graphene, which
has attracted great attention because of its unique and remarkable electronic
properties and was recognized as a viable replacement for silicon in
electronics. In this case, a challenging goal is to make graphene Dirac states
spin-polarized. Here, we report on absolutely new promising pathway to create
spin-polarized Dirac states based on coupling of graphene and polar-substrate
surface states with giant Rashba-type spin-splitting. We demonstrate how the
spin-helical Dirac states are formed in graphene deposited on the surface of
BiTeCl. This coupling induces spin separation of the originally spin-degenerate
graphene states and results in fully helical in-plane spin polarization of the
Dirac electrons.Comment: 5 pages, 3 figure
The effect of fluorine-containing inhibitors of corrosion of copper in atmospheric conditions
The effect of fluorine-containing inhibitors of corrosion of copper in atmospheric conditions was studied by method of removing anodic polarization curves and corrosion of full-scale tests. The introduction of the inhibiting compositions as corrosion inhibitor of copper polyfluorinated amines leads to a decrease of the peak current of active dissolution of copper, which increases the corrosion resistance of copper wire rod during transportation in various climate conditions
First principles quasiparticle damping rates in bulk lead
First principles calculations of the damping rates (inverse inelastic
lifetimes) of low energy quasiparticles in bulk Pb are presented. Damping rates
are obtained both for excited electrons and holes with energies up to 8 eV on a
set of k vectors throughout the Brillouin zone (BZ). Strong localization
effects in the calculated lifetimes are found. Averaged over the BZ inelastic
lifetimes versus quasiparticle energy are reported as well. In addition, the
effect of the spin-orbit induced splitting in the band structure on the
calculated lifetimes in Pb is investigated.Comment: 10 pages, 8 figures, 5 table
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