1,445 research outputs found
Truncated unity functional renormalization group for multiband systems with spin-orbit coupling
Although the functional renormalization group (fRG) is by now a
well-established method for investigating correlated electron systems, it is
still undergoing significant technical and conceptual improvements. In
particular, the motivation to optimally exploit the parallelism of modern
computing platforms has recently led to the development of the
"truncated-unity" functional renormalization group (TU-fRG). Here, we review
this fRG variant, and we provide its extension to multiband systems with
spin-orbit coupling. Furthermore, we discuss some aspects of the implementation
and outline opportunities and challenges ahead for predicting the ground-state
ordering and emergent energy scales for a wide class of quantum materials.Comment: consistent with published version in Frontiers in Physics (2018
Diffusion and jump-length distribution in liquid and amorphous CuZr
Using molecular dynamics simulation, we calculate the distribution of atomic
jum ps in CuZr in the liquid and glassy states. In both states
the distribution of jump lengths can be described by a temperature independent
exponential of the length and an effective activation energy plus a
contribution of elastic displacements at short distances. Upon cooling the
contribution of shorter jumps dominates. No indication of an enhanced
probability to jump over a nearest neighbor distance was found. We find a
smooth transition from flow in the liquid to jumps in the g lass. The
correlation factor of the diffusion constant decreases with decreasing
temperature, causing a drop of diffusion below the Arrhenius value, despite an
apparent Arrhenius law for the jump probability
Voronoi-Delaunay analysis of normal modes in a simple model glass
We combine a conventional harmonic analysis of vibrations in a one-atomic
model glass of soft spheres with a Voronoi-Delaunay geometrical analysis of the
structure. ``Structure potentials'' (tetragonality, sphericity or perfectness)
are introduced to describe the shape of the local atomic configurations
(Delaunay simplices) as function of the atomic coordinates. Apart from the
highest and lowest frequencies the amplitude weighted ``structure potential''
varies only little with frequency. The movement of atoms in soft modes causes
transitions between different ``perfect'' realizations of local structure. As
for the potential energy a dynamic matrix can be defined for the ``structure
potential''. Its expectation value with respect to the vibrational modes
increases nearly linearly with frequency and shows a clear indication of the
boson peak. The structure eigenvectors of this dynamical matrix are strongly
correlated to the vibrational ones. Four subgroups of modes can be
distinguished
A model for the infrared-radio correlation of main-sequence galaxies at GHz frequencies and its dependence on redshift and stellar mass
The infrared-radio correlation (IRRC) of star-forming galaxies can be used to
estimate their star formation rate (SFR) based on the radio continuum
luminosity at MHz-GHz frequencies. For application in future deep radio
surveys, it is crucial to know whether the IRRC persists at high redshift z.
Delvecchio et al. (2020) observed that the 1.4 GHz IRRC correlation of
star-forming galaxies is nearly z-invariant up to z~4, but depends strongly on
the stellar mass M_star. This should be taken into account for SFR calibrations
based on radio luminosity. To understand the physical cause of the
M_star-dependence of the IRRC and its properties at higher z, we construct a
phenomenological model for galactic radio emission involving magnetic fields
generated by a small-scale dynamo, a steady-state cosmic ray population, as
well as observed scaling relations that reduce the number of free parameters.
The best agreement between the model and the characteristics of the IRRC
observed by Delvecchio et al. (2020) is found when the efficiency of the
SN-driven turbulence is 5 % and when saturation of the small-scale dynamo
occurs once 10 % of the kinetic energy is converted into magnetic energy. The
observed dependence of the IRRC on M_star and z can be reproduced with our
model. For galaxies with intermediate to high (M_star ~ 10^9.5 - 10^11 M_sun)
stellar masses, our model results in a IRRC which is nearly independent of z.
For galaxies with lower masses (M_star ~ 10^8.5 M_sun), we find that the
IR-to-radio flux ratio increases with increasing redshift. This matches the
observational data in that mass bin which, however, only extends to z~1.5. The
increase of the IR-to-radio flux ratio for low-mass galaxies at z>1.5 that is
predicted by our model could be tested with future deep radio observations.Comment: 18 pages, 17 figures, submitted to A&
Two-particle interference of electron pairs on a molecular level
We investigate the photo-doubleionization of molecules with 400 eV
photons. We find that the emitted electrons do not show any sign of two-center
interference fringes in their angular emission distributions if considered
separately. In contrast, the quasi-particle consisting of both electrons (i.e.
the "dielectron") does. The work highlights the fact that non-local effects are
embedded everywhere in nature where many-particle processes are involved
A measurement of the evolution of Interatomic Coulombic Decay in the time domain
During the last 15 years a novel decay mechanism of excited atoms has been
discovered and investigated. This so called ''Interatomic Coulombic Decay''
(ICD) involves the chemical environment of the electronically excited atom: the
excitation energy is transferred (in many cases over long distances) to a
neighbor of the initially excited particle usually ionizing that neighbor. It
turned out that ICD is a very common decay route in nature as it occurs across
van-der-Waals and hydrogen bonds. The time evolution of ICD is predicted to be
highly complex, as its efficiency strongly depends on the distance of the atoms
involved and this distance typically changes during the decay. Here we present
the first direct measurement of the temporal evolution of ICD using a novel
experimental approach.Comment: 6 pages, 4 figures, submitted to PR
Phonon spectrum and soft-mode behavior of MgCNi_3
Temperature dependent inelastic neutron-scattering measurements of the
generalized phonon density-of-states for superconducting MgCNi_3, T_c=8 K, give
evidence for a soft-mode behavior of low-frequency Ni phonon modes. Results are
compared with ab initio density functional calculations which suggest an
incipient lattice instability of the stoichiometric compound with respect to Ni
vibrations orthogonal to the Ni-C bond direction.Comment: 4 pages, 5 figure
Anharmonicity, vibrational instability and Boson peak in glasses
We show that a {\em vibrational instability} of the spectrum of weakly
interacting quasi-local harmonic modes creates the maximum in the inelastic
scattering intensity in glasses, the Boson peak. The instability, limited by
anharmonicity, causes a complete reconstruction of the vibrational density of
states (DOS) below some frequency , proportional to the strength of
interaction. The DOS of the new {\em harmonic modes} is independent of the
actual value of the anharmonicity. It is a universal function of frequency
depending on a single parameter -- the Boson peak frequency, which
is a function of interaction strength. The excess of the DOS over the Debye
value is at low frequencies and linear in in the
interval . Our results are in an excellent
agreement with recent experimental studies.Comment: LaTeX, 8 pages, 6 figure
Detecting controlling nodes of boolean regulatory networks
Boolean models of regulatory networks are assumed to be tolerant to perturbations. That qualitatively implies that each function can only depend on a few nodes. Biologically motivated constraints further show that functions found in Boolean regulatory networks belong to certain classes of functions, for example, the unate functions. It turns out that these classes have specific properties in the Fourier domain. That motivates us to study the problem of detecting controlling nodes in classes of Boolean networks using spectral techniques. We consider networks with unbalanced functions and functions of an average sensitivity less than 23k, where k is the number of controlling variables for a function. Further, we consider the class of 1-low networks which include unate networks, linear threshold networks, and networks with nested canalyzing functions. We show that the application of spectral learning algorithms leads to both better time and sample complexity for the detection of controlling nodes compared with algorithms based on exhaustive search. For a particular algorithm, we state analytical upper bounds on the number of samples needed to find the controlling nodes of the Boolean functions. Further, improved algorithms for detecting controlling nodes in large-scale unate networks are given and numerically studied
Ice XII in its second regime of metastability
We present neutron powder diffraction results which give unambiguous evidence
for the formation of the recently identified new crystalline ice phase[Lobban
et al.,Nature, 391, 268, (1998)], labeled ice XII, at completely different
conditions. Ice XII is produced here by compressing hexagonal ice I_h at T =
77, 100, 140 and 160 K up to 1.8 GPa. It can be maintained at ambient pressure
in the temperature range 1.5 < T < 135 K. High resolution diffraction is
carried out at T = 1.5 K and ambient pressure on ice XII and accurate
structural properties are obtained from Rietveld refinement. At T = 140 and 160
K additionally ice III/IX is formed. The increasing amount of ice III/IX with
increasing temperature gives an upper limit of T ~ 150 K for the successful
formation of ice XII with the presented procedure.Comment: 3 Pages of RevTeX, 3 tables, 3 figures (submitted to Physical Review
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