416 research outputs found
Sub-monolayer nucleation and growth of complex oxide heterostructures at high supersaturation and rapid flux modulation
We report on the non-trivial nanoscale kinetics of the deposition of novel
complex oxide heterostructures composed of a unit-cell thick correlated metal
LaNiO3 and dielectric LaAlO3. The multilayers demonstrate exceptionally good
crystallinity and surface morphology maintained over the large number of
layers, as confirmed by AFM, RHEED, and synchrotron X-ray diffraction. To
elucidate the physics behind the growth, the temperature of the substrate and
the deposition rate were varied over a wide range and the results were treated
in the framework of a two-layer model. These results are of fundamental
importance for synthesis of new phases of complex oxide heterostructures.Comment: 13 pages, 6 figure
Friction force on slow charges moving over supported graphene
We provide a theoretical model that describes the dielectric coupling of a 2D
layer of graphene, represented by a polarization function in the Random Phase
Approximation, and a semi-infinite 3D substrate, represented by a surface
response function in a non-local formulation. We concentrate on the role of the
dynamic response of the substrate for low-frequency excitations of the combined
graphene-substrate system, which give rise to the stopping force on slowly
moving charges above graphene. A comparison of the dielectric loss function
with experimental HREELS data for graphene on a SiC substrate is used to
estimate the damping rate in graphene and to reveal the importance of phonon
excitations in an insulating substrate. A signature of the hybridization
between graphene's pi plasmon and the substrate's phonon is found in the
stopping force. A friction coefficient that is calculated for slow charges
moving above graphene on a metallic substrate shows an interplay between the
low-energy single-particle excitations in both systems.Comment: 13 pages, 5 figures, submitted to Nanotechnology for a special issue
related to the NGC 2009 conference (http://asdn.net/ngc2009/index.shtml
Low-Temperature Orientation Dependence of Step Stiffness on {111} Surfaces
For hexagonal nets, descriptive of {111} fcc surfaces, we derive from
combinatoric arguments a simple, low-temperature formula for the orientation
dependence of the surface step line tension and stiffness, as well as the
leading correction, based on the Ising model with nearest-neighbor (NN)
interactions. Our formula agrees well with experimental data for both Ag and
Cu{111} surfaces, indicating that NN-interactions alone can account for the
data in these cases (in contrast to results for Cu{001}). Experimentally
significant corollaries of the low-temperature derivation show that the step
line tension cannot be extracted from the stiffness and that with plausible
assumptions the low-temperature stiffness should have 6-fold symmetry, in
contrast to the 3-fold symmetry of the crystal shape. We examine Zia's exact
implicit solution in detail, using numerical methods for general orientations
and deriving many analytic results including explicit solutions in the two
high-symmetry directions. From these exact results we rederive our simple
result and explore subtle behavior near close-packed directions. To account for
the 3-fold symmetry in a lattice gas model, we invoke a novel
orientation-dependent trio interaction and examine its consequences.Comment: 11 pages, 8 figure
Data analysis and recommendations for the determination of the equilibrium constant for CO steam conversion and of consumption ratios of ammonia production
Проведений аналіз значень константи рівноваги конверсії СО водяною парою Кp1, визначеною за різними джерелами. Для розрахунку Кp1 обґрунтовано використання рівняння Тьомкіна М.І. Витратні коефіцієнти виробництва аміаку по РПГ та ТПГ, розраховані з використанням значень Кp1, визначеної за рівняннями Тьомкіна М.І. і Kjer J., рівняннями апроксимації табличних даних Семенова В.П. та даних Wagman D., відрізняються не більше як на 0,1 %.Analysis of the equilibrium constant for CO steam conversion, Kp1 from various sources was conducted. To calculate Kp1 it is reasonable to use the equation of Temkyn M.I. Equilibrium constants Kp1 for the watergas shift of carbon monoxide is recommended to determine by the Temkin M.I. equation. Expense ratios of ammonia by an RNG and FNG, calculated using the Kp1 values, defined by the equations of Temkin M.I.; Kjer J., by the approximation equations of tabular data of Semenov V.P. and data of Wagman D., — differ by no more than 0,1 %
Graphite and graphene as perfect spin filters
Based upon the observations (i) that their in-plane lattice constants match
almost perfectly and (ii) that their electronic structures overlap in
reciprocal space for one spin direction only, we predict perfect spin filtering
for interfaces between graphite and (111) fcc or (0001) hcp Ni or Co. The spin
filtering is quite insensitive to roughness and disorder. The formation of a
chemical bond between graphite and the open -shell transition metals that
might complicate or even prevent spin injection into a single graphene sheet
can be simply prevented by dusting Ni or Co with one or a few monolayers of Cu
while still preserving the ideal spin injection property
Geometry and quantum delocalization of interstitial oxygen in silicon
The problem of the geometry of interstitial oxygen in silicon is settled by
proper consideration of the quantum delocalization of the oxygen atom around
the bond-center position. The calculated infrared absorption spectrum accounts
for the 517 and 1136 cm bands in their position, character, and isotope
shifts. The asymmetric lineshape of the 517 cm peak is also well
reproduced. A new, non-infrared-active, symmetric-stretching mode is found at
596 cm. First-principles calculations are presented supporting the
nontrivial quantum delocalization of the oxygen atom.Comment: uuencoded, compressed postscript file for the whole. 4 pages (figures
included), accepted in PR
Relaxation and reconstruction on (111) surfaces of Au, Pt, and Cu
We have theoretically studied the stability and reconstruction of (111)
surfaces of Au, Pt, and Cu. We have calculated the surface energy, surface
stress, interatomic force constants, and other relevant quantities by ab initio
electronic structure calculations using the density functional theory (DFT), in
a slab geometry with periodic boundary conditions. We have estimated the
stability towards a quasi-one-dimensional reconstruction by using the
calculated quantities as parameters in a one-dimensional Frenkel-Kontorova
model. On all surfaces we have found an intrinsic tensile stress. This stress
is large enough on Au and Pt surfaces to lead to a reconstruction in which a
denser surface layer is formed, in agreement with experiment. The
experimentally observed differences between the dense reconstruction pattern on
Au(111) and a sparse structure of stripes on Pt(111) are attributed to the
details of the interaction potential between the first layer of atoms and the
substrate.Comment: 8 pages, 3 figures, submitted to Physical Review
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