1,566 research outputs found
Theoretical Study of Corundum as an Ideal Gate Dielectric Material for Graphene Transistors
Using physical insights and advanced first-principles calculations, we
suggest that corundum is an ideal gate dielectric material for graphene
transistors. Clean interface exists between graphene and Al-terminated (or
hydroxylated) Al2O3 and the valence band offsets for these systems are large
enough to create injection barrier. Remarkably, a band gap of {\guillemotright}
180 meV can be induced in graphene layer adsorbed on Al-terminated surface,
which could realize large ON/OFF ratio and high carrier mobility in graphene
transistors without additional band gap engineering and significant reduction
of transport properties. Moreover, the band gaps of graphene/Al2O3 system could
be tuned by an external electric field for practical applications
Rheology of Lamellar Liquid Crystals in Two and Three Dimensions: A Simulation Study
We present large scale computer simulations of the nonlinear bulk rheology of
lamellar phases (smectic liquid crystals) at moderate to large values of the
shear rate (Peclet numbers 10-100), in both two and three dimensions. In two
dimensions we find that modest shear rates align the system and stabilise an
almost regular lamellar phase, but high shear rates induce the nucleation and
proliferation of defects, which in steady state is balanced by the annihilation
of defects of opposite sign. The critical shear rate at onset of this second
regime is controlled by thermodynamic and kinetic parameters; we offer a
scaling analysis that relates the critical shear rate to a critical "capillary
number" involving those variables. Within the defect proliferation regime, the
defects may be partially annealed by slowly decreasing the applied shear rate;
this causes marked memory effects, and history-dependent rheology. Simulations
in three dimensions show instead shear-induced ordering even at the highest
shear rates studied here. This suggests that the critical shear rate shifts
markedly upward on increasing dimensionality. This may in part reflect the
reduced constraints on defect motion, allowing them to find and annihilate each
other more easily. Residual edge defects in the 3D aligned state mostly point
along the flow velocity, an orientation impossible in two dimensions.Comment: 18 pages, 12 figure
Cleaving-temperature dependence of layered-oxide surfaces
The surfaces generated by cleaving non-polar, two-dimensional oxides are
often considered to be perfect or ideal. However, single particle
spectroscopies on Sr2RuO4, an archetypal non-polar two dimensional oxide, show
significant cleavage temperature dependence. We demonstrate that this is not a
consequence of the intrinsic characteristics of the surface: lattice parameters
and symmetries, step heights, atom positions, or density of states. Instead, we
find a marked increase in the density of defects at the mesoscopic scale with
increased cleave temperature. The potential generality of these defects to
oxide surfaces may have broad consequences to interfacial control and the
interpretation of surface sensitive measurements
Student Engagement in After-School Programs, Academic Skills, and Social Competence among Elementary School Students
Research on the relationship between after-school program participation and student outcomes has been mixed, and beneficial effects have been small. Most recent studies suggest that participation is best characterized as a multidimensional concept that includes enrollment, attendance, and engagement, which help explain differences in student outcomes. The present study uses data from a longitudinal study of after-school programs in elementary schools to examine staff ratings of student engagement and school outcomes. The factor structure of the staff-rated measure of student engagement was examined by exploratory factor analysis. Multiple regression analyses found that student engagement in academic, youth development, and arts after-school program activities was significantly related to changes in teacher ratings of academic skills and social competence over the course of the school year and that students with the greatest increase in academic skills both were highly engaged in activities and attended the after-school program regularly. The results of this study provide additional evidence regarding the benefits of after-school programs and the importance of student engagement when assessing student outcomes
Quantum oscillations in adsorption energetics of atomic oxygen on Pb(111) ultrathin films: A density-functional theory study
Using first-principles calculations, we have systematically studied the
quantum size effects of ultrathin Pb(111) films on the adsorption energies and
diffusion energy barriers of oxygen atoms. For the on-surface adsorption of
oxygen atoms at different coverages, all the adsorption energies are found to
show bilayer oscillation behaviors. It is also found that the work function of
Pb(111) films still keeps the bilayer-oscillation behavior after the adsorption
of oxygen atoms, with the values being enlarged by 2.10 to 2.62 eV. For the
diffusion and penetration of the adsorbed oxygen atoms, it is found that the
most energetically favored paths are the same on different Pb(111) films. And
because of the modulation of quantum size effects, the corresponding energy
barriers are all oscillating with a bilayer period on different Pb(111) films.
Our studies indicate that the quantum size effect in ultrathin metal films can
modulate a lot of processes during surface oxidation
Quantum Transport with Spin Dephasing: A Nonequilibrium Green's Function Approach
A quantum transport model incorporating spin scattering processes is
presented using the non-equilibrium Green's function (NEGF) formalism within
the self-consistent Born approximation. This model offers a unified approach by
capturing the spin-flip scattering and the quantum effects simultaneously. A
numerical implementation of the model is illustrated for magnetic tunnel
junction devices with embedded magnetic impurity layers. The results are
compared with experimental data, revealing the underlying physics of the
coherent and incoherent transport regimes. It is shown that small variations in
magnetic impurity spin-states/concentrations could cause large deviations in
junction magnetoresistances.Comment: NEGF Formalism, Spin Dephasing, Magnetic Tunnel Junctions,
Magnetoresistanc
Activated O2 dissociation and formation of oxide islands on the Be(0001) surface: Another atomistic model for metal oxidation
By simulating the dissociation of O2 molecules on the Be(0001) surface using
the first-principles molecular dynamics approach, we propose a new atomistic
model for the surface oxidation of sp metals. In our model, only the
dissociation of the first oxygen molecule needs to overcome an energy barrier,
while the subsequent oxygen molecules dissociate barrierlessly around the
adsorption area. Consequently, oxide islands form on the metal surface, and
grow up in a lateral way. We also discover that the firstly dissociated oxygen
atoms are not so mobile on the Be(0001) surface, as on the Al(111) surface. Our
atomistic model enlarges the knowledge on metal surface oxidations by perfectly
explaining the initial stage during the surface oxidation of Be, and might be
applicable to some other sp metal surfaces.Comment: 5 pages, 4 figure
- …