346 research outputs found
Ab initio many-body calculation of excitons in solid Ne and Ar
Absorption spectra, exciton energy levels and wave functions for solid Ne and
Ar have been calculated from first principles using many-body techniques.
Electronic band structures of Ne and Ar were calculated using the GW
approximation. Exciton states were calculated by diagonalizing an exciton
Hamiltonian derived from the particle-hole Green function, whose equation of
motion is the Bethe-Salpeter equation. Singlet and triplet exciton series up to
n=5 for Ne and n=3 for Ar were obtained. Binding energies and
longitudinal-transverse splittings of n=1 excitons are in excellent agreement
with experiment. Plots of correlated electron-hole wave functions show that the
electron-hole complex is delocalised over roughly 7 a.u. in solid Ar.Comment: 6 page
Optical creation of vibrational intrinsic localized modes in anharmonic lattices with realistic interatomic potentials
Using an efficient optimal control scheme to determine the exciting fields,
we theoretically demonstrate the optical creation of vibrational intrinsic
localized modes (ILMs) in anharmonic perfect lattices with realistic
interatomic potentials. For systems with finite size, we show that ILMs can be
excited directly by applying a sequence of femtosecond visible laser pulses at
THz repetition rates. For periodic lattices, ILMs can be created indirectly via
decay of an unstable extended lattice mode which is excited optically either by
a sequence of pulses as described above or by a single picosecond far-infrared
laser pulse with linearly chirped frequency. In light of recent advances in
experimental laser pulse shaping capabilities, the approach is experimentally
promising.Comment: 20 pages, 7 eps figures. Accepted, Phys. Rev.
Anomalous magneto-oscillations in two-dimensional systems
The frequencies of Shubnikov-de Haas oscillations have long been used to
measure the unequal population of spin-split two-dimensional subbands in
inversion asymmetric systems. We report self-consistent numerical calculations
and experimental results which indicate that these oscillations are not simply
related to the zero-magnetic-field spin-subband densities.Comment: 4 pages, 3 figures; changed content (clarifications
Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture II: Intermediate Scattering Function and Dynamic Susceptibility
We have performed a molecular dynamics computer simulation of a supercooled
binary Lennard-Jones system in order to compare the dynamical behavior of this
system with the predictions of the idealized version of mode-coupling theory
(MCT). By scaling the time by the temperature dependent -relaxation
time , we find that in the -relaxation regime and
, the coherent and incoherent intermediate scattering functions, for
different temperatures each follows a -dependent master curve as a function
of scaled time. We show that during the early part of the -relaxation,
which is equivalent to the late part of the -relaxation, these master
curves are well approximated by the master curve predicted by MCT for the
-relaxation. This part is also fitted well by a power-law, the so-called
von Schweidler law. We show that the effective exponent of this power-law
depends on the wave vector if is varied over a large range. The early
part of the -relaxation regime does not show the critical decay
predicted by MCT. The -dependence of the nonergodicity parameter for
and are in qualitative agreement with MCT. On the time
scale of the late -relaxation the correlation functions show a
Kohlrausch-Williams-Watt behavior (KWW). The KWW exponent is
significantly different from the effective von Schweidler exponent . At low
temperatures the -relaxation time shows a power-law behavior
with a critical temperature that is the same as the one found previously for
the diffusion constant [Phys. Rev. Lett. {\bf 73}, 1376 (1994)]. The critical
exponent of this power-law and the von Schweidler exponent fulfill the
connection proposed by MCT between these two quantities. We also show that theComment: 28 Pages of REVTEX, Figures available from W. Ko
Spectral Shape of Relaxations in Silica Glass
Precise low-frequency light scattering experiments on silica glass are
presented, covering a broad temperature and frequency range (9 GHz < \nu < 2
THz). For the first time the spectral shape of relaxations is observed over
more than one decade in frequency. The spectra show a power-law low-frequency
wing of the relaxational part of the spectrum with an exponent
proportional to temperature in the range 30 K < T < 200 K. A comparison of our
results with those from acoustic attenuation experiments performed at different
frequencies shows that this power-law behaviour rather well describes
relaxations in silica over 9 orders of magnitude in frequency. These findings
can be explained by a model of thermally activated transitions in double well
potentials.Comment: 4 pages, 3 figures, submitted to Phys. Rev. Let
Physical Origin of the Boson Peak Deduced from a Two-Order-Parameter Model of Liquid
We propose that the boson peak originates from the (quasi-) localized
vibrational modes associated with long-lived locally favored structures, which
are intrinsic to a liquid state and are randomly distributed in a sea of
normal-liquid structures. This tells us that the number density of locally
favored structures is an important physical factor determining the intensity of
the boson peak. In our two-order-parameter model of the liquid-glass
transition, the locally favored structures act as impurities disturbing
crystallization and thus lead to vitrification. This naturally explains the
dependence of the intensity of the boson peak on temperature, pressure, and
fragility, and also the close correlation between the boson peak and the first
sharp diffraction peak (or prepeak).Comment: 5 pages, 1 figure, An error in the reference (Ref. 7) was correcte
Static and Dynamic Properties of a Viscous Silica Melt Molecular Dynamics Computer Simulations
We present the results of a large scale molecular dynamics computer
simulation in which we investigated the static and dynamic properties of a
silica melt in the temperature range in which the viscosity of the system
changes from O(10^-2) Poise to O(10^2) Poise. We show that even at temperatures
as high as 4000 K the structure of this system is very similar to the random
tetrahedral network found in silica at lower temperatures. The temperature
dependence of the concentration of the defects in this network shows an
Arrhenius law. From the partial structure factors we calculate the neutron
scattering function and find that it agrees very well with experimental neutron
scattering data. At low temperatures the temperature dependence of the
diffusion constants shows an Arrhenius law with activation energies which
are in very good agreement with the experimental values. With increasing
temperature we find that this dependence shows a cross-over to one which can be
described well by a power-law, D\propto (T-T_c)^gamma. The critical temperature
T_c is 3330 K and the exponent gamma is close to 2.1. Since we find a similar
cross-over in the viscosity we have evidence that the relaxation dynamics of
the system changes from a flow-like motion of the particles, as described by
the ideal version of mode-coupling theory, to a hopping like motion. We show
that such a change of the transport mechanism is also observed in the product
of the diffusion constant and the life time of a Si-O bond, or the space and
time dependence of the van Hove correlation functions.Comment: 30 pages of Latex, 14 figure
Rashba precession in quantum wires with interaction
Rashba precession of spins moving along a one-dimensional quantum channel is
calculated, accounting for Coulomb interactions. The Tomonaga--Luttinger model
is formulated in the presence of spin-orbit scattering and solved by
Bosonization. Increasing interaction strength at decreasing carrier density is
found to {\sl enhance} spin precession and the nominal Rashba parameter due to
the decreasing spin velocity compared with the Fermi velocity. This result can
elucidate the observed pronounced changes of the spin splitting on applied gate
voltages which are estimated to influence the interface electric field in
heterostructures only little.Comment: now replaced by published versio
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