274 research outputs found
Nonequilibrium Magnetization Dynamics of Nickel
Ultrafast magnetization dynamics of nickel has been studied for different
degrees of electronic excitation, using pump-probe second-harmonic generation
with 150 fs/800 nm laser pulses of various fluences. Information about the
electronic and magnetic response to laser irradiation is obtained from sums and
differences of the SHG intensity for opposite magnetization directions. The
classical M(T)-curve can be reproduced for delay times larger than the electron
thermalization time of about 280 fs, even when electrons and lattice have not
reached thermal equilibrium. Further we show that the transient magnetization
reaches its minimum approx. 50 fs before electron thermalization is completed.Comment: 8 pages, 5 figures, revte
On the kinks and dynamical phase transitions of alpha-helix protein chains
Heuristic insights into a physical picture of Davydov's solitonic model of
the one-dimensional protein chain are presented supporting the idea of a
non-equilibrium competition between the Davydov phase and a complementary,
dynamical- `ferroelectric' phase along the chainComment: small latex file with possible glue problems, just go on !, no
figures, small corrections with respect to the published text, follow-up work
to cond-mat/9304034 [PRE 47 (June 1993) R3818
Electron-lattice relaxation, and soliton structures and their interactions in polyenes
Density matrix renormalisation group calculations of a suitably parametrised
model of long polyenes (polyacetylene oligomers), which incorporates both long
range Coulomb interactions and adiabatic lattice relaxation, are presented. The
triplet and 2Ag states are found to have a 2-soliton and 4-soliton form,
respectively, both with large relaxation energies. The 1Bu state forms an
exciton-polaron and has a very small relaxation energy. The relaxed energy of
the 2Ag state lies below that of the 1Bu state. The soliton/anti-soliton pairs
are bound.Comment: RevTeX, 5 pages, 4 eps figures included using epsf. To appear in
Physical Review Letters. Fig. 1 fixed u
The role of occupied d states in the relaxation of hot electrons in Au
We present first-principles calculations of electron-electron scattering
rates of low-energy electrons in Au. Our full band-structure calculations
indicate that a major contribution from occupied d states participating in the
screening of electron-electron interactions yields lifetimes of electrons in Au
with energies of above the Fermi level that are larger than
those of electrons in a free-electron gas by a factor of . This
prediction is in agreement with a recent experimental study of ultrafast
electron dynamics in Au(111) films (J. Cao {\it et al}, Phys. Rev. B {\bf 58},
10948 (1998)), where electron transport has been shown to play a minor role in
the measured lifetimes of hot electrons in this material.Comment: 4 pages, 2 figures, to appear in Phys. Rev.
Size-Dependent Surface Plasmon Dynamics in Metal Nanoparticles
We study the effect of Coulomb correlations on the ultrafast optical dynamics
of small metal particles. We demonstrate that a surface-induced dynamical
screening of the electron-electron interactions leads to quasiparticle
scattering with collective surface excitations. In noble-metal nanoparticles,
it results in an interband resonant scattering of d-holes with surface
plasmons. We show that this size-dependent many-body effect manifests itself in
the differential absorption dynamics for frequencies close to the surface
plasmon resonance. In particular, our self-consistent calculations reveal a
strong frequency dependence of the relaxation, in agreement with recent
femtosecond pump-probe experiments.Comment: 8 pages + 4 figures, final version accepted to PR
Hole dynamics in noble metals
We present a detailed analysis of hole dynamics in noble metals (Cu and Au),
by means of first-principles many-body calculations. While holes in a
free-electron gas are known to live shorter than electrons with the same
excitation energy, our results indicate that d-holes in noble metals exhibit
longer inelastic lifetimes than excited sp-electrons, in agreement with
experiment. The density of states available for d-hole decay is larger than
that for the decay of excited electrons; however, the small overlap between d-
and sp-states below the Fermi level increases the d-hole lifetime. The impact
of d-hole dynamics on electron-hole correlation effects, which are of relevance
in the analysis of time-resolved two-photon photoemission experiments, is also
addressed.Comment: 4 pages, 2 figures, to appear in Phys. Rev. Let
Coordinate-Space Hartree-Fock-Bogoliubov Description of Superfluid Fermi Systems
Properties of strongly interacting, two-component finite Fermi systems are
discussed within the recently developed coordinate-space
Hartree-Fock-Bogoliubov (HFB) code {\hfbax}. Two illustrative examples are
presented: (i) weakly bound deformed Mg isotopes, and (ii) spin-polarized
atomic condensates in a strongly deformed harmonic trap.Comment: 4 pages, 2 figures, ENAM 2008 conference proceedings (EPJA
Excited states of linear polyenes
We present density matrix renormalisation group calculations of the Pariser-
Parr-Pople-Peierls model of linear polyenes within the adiabatic approximation.
We calculate the vertical and relaxed transition energies, and relaxed
geometries for various excitations on long chains. The triplet (3Bu+) and even-
parity singlet (2Ag+) states have a 2-soliton and 4-soliton form, respectively,
both with large relaxation energies. The dipole-allowed (1Bu-) state forms an
exciton-polaron and has a very small relaxation energy. The relaxed energy of
the 2Ag+ state lies below that of the 1Bu- state. We observe an attraction
between the soliton-antisoliton pairs in the 2Ag+ state. The calculated
excitation energies agree well with the observed values for polyene oligomers;
the agreement with polyacetylene thin films is less good, and we comment on the
possible sources of the discrepencies. The photoinduced absorption is
interpreted. The spin-spin correlation function shows that the unpaired spins
coincide with the geometrical soliton positions. We study the roles of
electron-electron interactions and electron-lattice coupling in determining the
excitation energies and soliton structures. The electronic interactions play
the key role in determining the ground state dimerisation and the excited state
transition energies.Comment: LaTeX, 15 pages, 9 figure
MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation
MADNESS (multiresolution adaptive numerical environment for scientific
simulation) is a high-level software environment for solving integral and
differential equations in many dimensions that uses adaptive and fast harmonic
analysis methods with guaranteed precision based on multiresolution analysis
and separated representations. Underpinning the numerical capabilities is a
powerful petascale parallel programming environment that aims to increase both
programmer productivity and code scalability. This paper describes the features
and capabilities of MADNESS and briefly discusses some current applications in
chemistry and several areas of physics
Analytical solutions to the third-harmonic generation in trans-polyacetylene: Application of dipole-dipole correlation on the single electron models
The analytical solutions for the third-harmonic generation (THG) on infinite
chains in both Su-Shrieffer-Heeger (SSH) and Takayama-Lin-Liu-Maki (TLM) models
of trans-polyacetylene are obtained through the scheme of dipole-dipole ()
correlation. They are not equivalent to the results obtained through static
current-current () correlation or under polarization operator
. The van Hove singularity disappears exactly in the analytical forms,
showing that the experimentally observed two-photon absorption peak (TPA) in
THG may not be directly explained by the single electron models.Comment: 10 pages, 4 figures, submitted to Phys. Rev.
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