4,186 research outputs found
Electron-hole pairs during the adsorption dynamics of O2 on Pd(100) - Exciting or not?
During the exothermic adsorption of molecules at solid surfaces dissipation
of the released energy occurs via the excitation of electronic and phononic
degrees of freedom. For metallic substrates the role of the nonadiabatic
electronic excitation channel has been controversially discussed, as the
absence of a band gap could favour an easy coupling to a manifold of
electronhole pairs of arbitrarily low energies. We analyse this situation for
the highly exothermic showcase system of molecular oxygen dissociating at
Pd(100), using time-dependent perturbation theory applied to first-principles
electronic-structure calculations. For a range of different trajectories of
impinging O2 molecules we compute largely varying electron-hole pair spectra,
which underlines the necessity to consider the high-dimensionality of the
surface dynamical process when assessing the total energy loss into this
dissipation channel. Despite the high Pd density of states at the Fermi level,
the concomitant non-adiabatic energy losses nevertheless never exceed about 5%
of the available chemisorption energy. While this supports an electronically
adiabatic description of the predominant heat dissipation into the phononic
system, we critically discuss the non-adiabatic excitations in the context of
the O2 spin transition during the dissociation process.Comment: 20 pages including 7 figures; related publications can be found at
http://www.fhi-berlin.mpg.de/th/th.html [added two references, changed
V_{fsa} to V_{6D}, modified a few formulations in interpretation of spin
asymmetry of eh-spectra, added missing equals sign in Eg.(2.10)
A Spherical Plasma Dynamo Experiment
We propose a plasma experiment to be used to investigate fundamental
properties of astrophysical dynamos. The highly conducting, fast-flowing plasma
will allow experimenters to explore systems with magnetic Reynolds numbers an
order of magnitude larger than those accessible with liquid-metal experiments.
The plasma is confined using a ring-cusp strategy and subject to a toroidal
differentially rotating outer boundary condition. As proof of principle, we
present magnetohydrodynamic simulations of the proposed experiment. When a von
K\'arm\'an-type boundary condition is specified, and the magnetic Reynolds
number is large enough, dynamo action is observed. At different values of the
magnetic Prandtl and Reynolds numbers the simulations demonstrate either
laminar or turbulent dynamo action
Metastable precursors during the oxidation of the Ru(0001) surface
Using density-functional theory, we predict that the oxidation of the
Ru(0001) surface proceeds via the accumulation of sub-surface oxygen in
two-dimensional islands between the first and second substrate layer. This
leads locally to a decoupling of an O-Ru-O trilayer from the underlying metal.
Continued oxidation results in the formation and stacking of more of these
trilayers, which unfold into the RuO_2(110) rutile structure once a critical
film thickness is exceeded. Along this oxidation pathway, we identify various
metastable configurations. These are found to be rather close in energy,
indicating a likely lively dynamics between them at elevated temperatures,
which will affect the surface chemical and mechanical properties of the
material.Comment: 11 pages including 9 figures. Submitted to Phys. Rev. B. Related
publications can be found at http://www.fhi-berlin.mpg.de/th/paper.htm
Hysteretic magnetotransport in p-type AlGaAs heterostructures with In/Zn/Au ohmic contacts
The two-terminal magneto-conductance of a hole gas in C-doped AlGaAs/GaAs
heterostructures with ohmic contacts consisting of alloyed In/Zn/Au displays a
pronounced hysteresis of the conductance around zero magnetic field. The
hysteresis disappears above magnetic fields of around 0.5 T and temperatures
above 300 mK. For magnetic fields below 10 mT we observe a pronounced dip in
the magneto-conductance. We tentatively discuss these experimental observations
in the light of superconductivity of the ohmic contacts.Comment: 4+ pages, 3 figures
The beta functions of a scalar theory coupled to gravity
We study a scalar field theory coupled to gravity on a flat background, below
Planck's energy. Einstein's theory is treated as an effective field theory.
Within the context of Wilson's renormalization group, we compute gravitational
corrections to the beta functions and the anomalous dimension of the scalar
field, taking into account threshold effects.Comment: 13 pages, plainTe
Self-limited oxide formation in Ni(111) oxidation
The oxidation of the Ni(111) surface is studied experimentally with low
energy electron microscopy and theoretically by calculating the electron
reflectivity for realistic models of the NiO/Ni(111) surface with an ab-initio
scattering theory. Oxygen exposure at 300 K under ultrahigh-vacuum conditions
leads to the formation of a continuous NiO(111)-like film consisting of
nanosized domains. At 750 K, we observe the formation of a nano-heterogeneous
film composed primarily of NiO(111)-like surface oxide nuclei, which exhibit
virtually the same energy-dependent reflectivity as in the case of 300 K and
which are separated by oxygen-free Ni(111) terraces. The scattering theory
explains the observed normal incidence reflectivity R(E) of both the clean and
the oxidized Ni(111) surface. At low energies R(E) of the oxidized surface is
determined by a forbidden gap in the k_parallel=0 projected energy spectrum of
the bulk NiO crystal. However, for both low and high temperature oxidation a
rapid decrease of the reflectivity in approaching zero kinetic energy is
experimentally observed. This feature is shown to characterize the thickness of
the oxide layer, suggesting an average oxide thickness of two NiO layers.Comment: 10 pages (in journal format), 9 figure
Lower Bounds for Ground States of Condensed Matter Systems
Standard variational methods tend to obtain upper bounds on the ground state
energy of quantum many-body systems. Here we study a complementary method that
determines lower bounds on the ground state energy in a systematic fashion,
scales polynomially in the system size and gives direct access to correlation
functions. This is achieved by relaxing the positivity constraint on the
density matrix and replacing it by positivity constraints on moment matrices,
thus yielding a semi-definite programme. Further, the number of free parameters
in the optimization problem can be reduced dramatically under the assumption of
translational invariance. A novel numerical approach, principally a combination
of a projected gradient algorithm with Dykstra's algorithm, for solving the
optimization problem in a memory-efficient manner is presented and a proof of
convergence for this iterative method is given. Numerical experiments that
determine lower bounds on the ground state energies for the Ising and
Heisenberg Hamiltonians confirm that the approach can be applied to large
systems, especially under the assumption of translational invariance.Comment: 16 pages, 4 figures, replaced with published versio
LEED Holography applied to a complex superstructure: a direct view of the adatom cluster on SiC(111)-(3x3)
For the example of the SiC(111)-(3x3) reconstruction we show that a
holographic interpretation of discrete Low Energy Electron Diffraction (LEED)
spot intensities arising from ordered, large unit cell superstructures can give
direct access to the local geometry of a cluster around an elevated atom,
provided there is only one such prominent atom per surface unit cell. By
comparing the holographic images obtained from experimental and calculated data
we illuminate validity, current limits and possible shortcomings of the method.
In particular, we show that periodic vacancies such as cornerholes may inhibit
the correct detection of the atomic positions. By contrast, the extra
diffraction intensity due to slight substrate reconstructions, as for example
buckling, seems to have negligible influence on the images. Due to the spatial
information depth of the method the stacking of the cluster can be imaged down
to the fourth layer. Finally, it is demonstrated how this structural knowledge
of the adcluster geometry can be used to guide the dynamical intensity analysis
subsequent to the holographic reconstruction and necessary to retrieve the full
unit cell structure.Comment: 11 pages RevTex, 6 figures, Phys. Rev. B in pres
Fractal space-times under the microscope: A Renormalization Group view on Monte Carlo data
The emergence of fractal features in the microscopic structure of space-time
is a common theme in many approaches to quantum gravity. In this work we carry
out a detailed renormalization group study of the spectral dimension and
walk dimension associated with the effective space-times of
asymptotically safe Quantum Einstein Gravity (QEG). We discover three scaling
regimes where these generalized dimensions are approximately constant for an
extended range of length scales: a classical regime where , a
semi-classical regime where , and the UV-fixed point
regime where . On the length scales covered by
three-dimensional Monte Carlo simulations, the resulting spectral dimension is
shown to be in very good agreement with the data. This comparison also provides
a natural explanation for the apparent puzzle between the short distance
behavior of the spectral dimension reported from Causal Dynamical
Triangulations (CDT), Euclidean Dynamical Triangulations (EDT), and Asymptotic
Safety.Comment: 26 pages, 6 figure
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