3,277 research outputs found
Possible mechanism for achieving glass-like thermal conductivities in crystals with off-center atoms
In the filled Ga/Ge clathrate, Eu and Sr are off-center in site 2 but Ba is
on-center. All three filler atoms (Ba,Eu,Sr) have low temperature Einstein
modes; yet only for the Eu and Sr systems is there a large dip in the thermal
conductivity, attributed to the Einstein modes. No dip is observed for Ba. Here
we argue that it is the off-center displacement that is crucial for
understanding this unexplained difference in behavior. It enhances the coupling
between the "rattler" motion and the lattice phonons for the Eu and Sr systems,
and turns on/off another scattering mechanism (for 1K < T < 20K) produced by
the presence/absence of off-center sites. The random occupation of different
off-center sites produces a high density of symmetry-breaking defects which
scatters phonons. It may also be important for improving our understanding of
other glassy systems.Comment: 4 pages, 1 figure (2 parts) -- v2: intro broadened; strengthened
arguments regarding need for additional phonon scattering mechanis
Lattice dynamics and reduced thermal conductivity of filled skutterudites
The great reduction in thermal conductivity of skutterudites upon filling the
``void'' sites with Rare Earth (RE) ions is key to their favorable
thermoelectric properties but remains to be understood. Using lattice dynamic
models based on first principles calculations, we address the most popular
microscopic mechanism, reduction via rattling ions. The model withstands
inelastic neutron scattering and specific heat measurements, and refutes
hypotheses of an anharmonic RE potential and of two distinct localized RE
vibrations of disparate frequencies. It does indicate a strong hybridization
between bare La vibrations and certain Sb-like phonon branches, suggesting
anharmonic scattering by harmonic RE motions as an important mechanism for
suppression of heat conductivity.Comment: modified version resubmitted to PRB. Results unchanged, text changed
substantiall
Excitons in coupled InAs/InP self-assembled quantum wires
Optical transitions in coupled InAs/InP self-assembled quantum wires are
studied within the single-band effective mass approximation including effects
due to strain. Both vertically and horizontally coupled quantum wires are
investigated and the ground state, excited states and the photoluminescence
peak energies are calculated. Where possible we compare with available
photo-luminescence data from which it was possible to determine the height of
the quantum wires. An anti-crossing of the energy of excited states is found
for vertically coupled wires signaling a change of symmetry of the exciton
wavefunction. This crossing is the signature of two different coupling regimes.Comment: 8 pages, 8 figures. To appear in Physical Review
Module identification in bipartite and directed networks
Modularity is one of the most prominent properties of real-world complex
networks. Here, we address the issue of module identification in two important
classes of networks: bipartite networks and directed unipartite networks. Nodes
in bipartite networks are divided into two non-overlapping sets, and the links
must have one end node from each set. Directed unipartite networks only have
one type of nodes, but links have an origin and an end. We show that directed
unipartite networks can be conviniently represented as bipartite networks for
module identification purposes. We report a novel approach especially suited
for module detection in bipartite networks, and define a set of random networks
that enable us to validate the new approach
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