151 research outputs found
First Principles Calculations of Fe on GaAs (100)
We have calculated from first principles the electronic structure of 0.5
monolayer upto 5 monolayer thick Fe layers on top of a GaAs (100) surface. We
find the Fe magnetic moment to be determined by the Fe-As distance. As
segregates to the top of the Fe film, whereas Ga most likely is found within
the Fe film. Moreover, we find an asymmetric in-plane contraction of our
unit-cell along with an expansion perpendicular to the surface. We predict the
number of Fe 3d-holes to increase with increasing Fe thickness on -doped
GaAs.Comment: 9 pages, 14 figures, submitted to PR
Structural and magnetic properties of Fe/ZnSe(001) interfaces
We have performed first principles electronic structure calculations to
investigate the structural and magnetic properties of Fe/ZnSe(001) interfaces.
Calculations involving full geometry optimizations have been carried out for a
broad range of thickness of Fe layers(0.5 monolayer to 10 monolayers) on top of
a ZnSe(001) substrate. Both Zn and Se terminated interfaces have been explored.
Total energy calculations show that Se segregates at the surface which is in
agreement with recent experiments.
For both Zn and Se terminations, the interface Fe magnetic moments are higher
than the bulk bcc Fe moment.
We have also investigated the effect of adding Fe atoms on top of a
reconstructed ZnSe surface to explore the role of reconstruction of
semiconductor surfaces in determining properties of metal-semiconductor
interfaces. Fe breaks the Se dimer bond formed for a Se-rich (2x1)
reconstructed surface. Finally, we looked at the reverse growth i.e. growth of
Zn and Se atoms on a bcc Fe(001) substrate to investigate the properties of the
second interface of a magnetotunnel junction. The results are in good agreement
with the theoretical and experimental results, wherever available.Comment: 7 pages, 8 figures, accepted for publication in PR
Electronic structure and magnetism of Mn doped GaN
Mn doped semiconductors are extremely interesting systems due to their novel
magnetic properties suitable for the spintronics applications. It has been
shown recently by both theory and experiment that Mn doped GaN systems have a
very high Curie temperature compared to that of Mn doped GaAs systems. To
understand the electronic and magnetic properties, we have studied Mn doped GaN
system in detail by a first principles plane wave method. We show here the
effect of varying Mn concentration on the electronic and magnetic properties.
For dilute Mn concentration, states of Mn form an impurity band completely
separated from the valence band states of the host GaN. This is in contrast to
the Mn doped GaAs system where Mn states in the gap lie very close to the
valence band edge and hybridizes strongly with the delocalized valence band
states.
To study the effects of electron correlation, LSDA+U calculations have been
performed.
Calculated exchange interaction in (Mn,Ga)N is short ranged in contrary to
that in (Mn,Ga)As where the strength of the ferromagnetic coupling between Mn
spins is not decreased substantially for large Mn-Mn separation. Also, the
exchange interactions are anisotropic in different crystallographic directions
due to the presence or absence of connectivity between Mn atoms through As
bonds.Comment: 6 figures, submitted to Phys. Rev.
First-principles extrapolation method for accurate CO adsorption energies on metal surfaces
We show that a simple first-principles correction based on the difference
between the singlet-triplet CO excitation energy values obtained by DFT and
high-level quantum chemistry methods yields accurate CO adsorption properties
on a variety of metal surfaces.
We demonstrate a linear relationship between the CO adsorption energy and the
CO singlet-triplet splitting, similar to the linear dependence of CO adsorption
energy on the energy of the CO 2* orbital found recently {[Kresse {\em et
al.}, Physical Review B {\bf 68}, 073401 (2003)]}. Converged DFT calculations
underestimate the CO singlet-triplet excitation energy ,
whereas coupled-cluster and CI calculations reproduce the experimental . The dependence of on is used
to extrapolate for the top, bridge and hollow sites for the
(100) and (111) surfaces of Pt, Rh, Pd and Cu to the values that correspond to
the coupled-cluster and CI value. The correction
reproduces experimental adsorption site preference for all cases and obtains
in excellent agreement with experimental results.Comment: Table sent as table1.eps. 3 figure
Magnetic fields in supernova remnants and pulsar-wind nebulae
We review the observations of supernova remnants (SNRs) and pulsar-wind
nebulae (PWNe) that give information on the strength and orientation of
magnetic fields. Radio polarimetry gives the degree of order of magnetic
fields, and the orientation of the ordered component. Many young shell
supernova remnants show evidence for synchrotron X-ray emission. The spatial
analysis of this emission suggests that magnetic fields are amplified by one to
two orders of magnitude in strong shocks. Detection of several remnants in TeV
gamma rays implies a lower limit on the magnetic-field strength (or a
measurement, if the emission process is inverse-Compton upscattering of cosmic
microwave background photons). Upper limits to GeV emission similarly provide
lower limits on magnetic-field strengths. In the historical shell remnants,
lower limits on B range from 25 to 1000 microGauss. Two remnants show
variability of synchrotron X-ray emission with a timescale of years. If this
timescale is the electron-acceleration or radiative loss timescale, magnetic
fields of order 1 mG are also implied. In pulsar-wind nebulae, equipartition
arguments and dynamical modeling can be used to infer magnetic-field strengths
anywhere from about 5 microGauss to 1 mG. Polarized fractions are considerably
higher than in SNRs, ranging to 50 or 60% in some cases; magnetic-field
geometries often suggest a toroidal structure around the pulsar, but this is
not universal. Viewing-angle effects undoubtedly play a role. MHD models of
radio emission in shell SNRs show that different orientations of upstream
magnetic field, and different assumptions about electron acceleration, predict
different radio morphology. In the remnant of SN 1006, such comparisons imply a
magnetic-field orientation connecting the bright limbs, with a non-negligible
gradient of its strength across the remnant.Comment: 20 pages, 24 figures; to be published in SpSciRev. Minor wording
change in Abstrac
Gamma rays from colliding winds of massive stars
Colliding winds of massive binaries have long been considered as potential sites of non-thermal high-energy photon production. This is motivated by the detection of non-thermal spectra in the radio band, as well as by correlation studies of yet unidentified EGRET gamma-ray sources with source populations appearing in star formation regions. This work re-considers the basic radiative processes and its properties that lead to high energy photon production in long-period massive star systems. We show that Klein-Nishina effects as well as the anisotropic nature of the inverse Compton scattering, the dominating leptonic emission process, likely yield spectral and variability signatures in the gamma-ray domain at or above the sensitivity of current or upcoming gamma ray instruments like GLAST-LAT. In addition to all relevant radiative losses, we include propagation (such as convection in the stellar wind) as well as photon absorption effects, which a priori can not be neglected. The calculations are applied to WR140 and WR147, and predictions for their detectability in the gamma-ray regime are provided. Physically similar specimen of their kind like WR146, WR137, WR138, WR112 and WR125 may be regarded as candidate sources at GeV energies for near-future gamma-ray experiments. Finally, we discuss several aspects relevant for eventually identifying this source class as a gamma-ray emitting population. Thereby we utilize our findings on the expected radiative behavior of typical colliding wind binaries in the gamma-ray regime as well as its expected spatial distribution on the gamma-ray sky
Measurement of Leading Proton and Neutron Production in Deep Inelastic Scattering at HERA
Deep--inelastic scattering events with a leading baryon have been detected by
the H1 experiment at HERA using a forward proton spectrometer and a forward
neutron calorimeter. Semi--inclusive cross sections have been measured in the
kinematic region 2 <= Q^2 <= 50 GeV^2, 6.10^-5 <= x <= 6.10^-3 and baryon p_T
<= MeV, for events with a final state proton with energy 580 <= E' <= 740 GeV,
or a neutron with energy E' >= 160 GeV. The measurements are used to test
production models and factorization hypotheses. A Regge model of leading baryon
production which consists of pion, pomeron and secondary reggeon exchanges
gives an acceptable description of both semi-inclusive cross sections in the
region 0.7 <= E'/E_p <= 0.9, where E_p is the proton beam energy. The leading
neutron data are used to estimate for the first time the structure function of
the pion at small Bjorken--x.Comment: 30 pages, 9 figures, 2 tables, submitted to Eur. Phys.
Topical Issues for Particle Acceleration Mechanisms in Astrophysical Shocks
Particle acceleration at plasma shocks appears to be ubiquitous in the
universe, spanning systems in the heliosphere, supernova remnants, and
relativistic jets in distant active galaxies and gamma-ray bursts. This review
addresses some of the key issues for shock acceleration theory that require
resolution in order to propel our understanding of particle energization in
astrophysical environments. These include magnetic field amplification in shock
ramps, the non-linear hydrodynamic interplay between thermal ions and their
extremely energetic counterparts possessing ultrarelativistic energies, and the
ability to inject and accelerate electrons in both non-relativistic and
relativistic shocks. Recent observational developments that impact these issues
are summarized. While these topics are currently being probed by
astrophysicists using numerical simulations, they are also ripe for
investigation in laboratory experiments, which potentially can provide valuable
insights into the physics of cosmic shocks.Comment: 13 pages, no figures. Invited review, accepted for publication in
Astrophysics and Space Science, as part of the HEDLA 2006 conference
proceeding
Reconstructing the Cosmic Expansion History up to Redshift z=6.29 with the Calibrated Gamma-Ray Bursts
Recently, Gamma-Ray Bursts (GRBs) were proposed to be a complementary
cosmological probe to type Ia supernovae (SNIa). GRBs have been advocated to be
standard candles since several empirical GRB luminosity relations were proposed
as distance indicators. However, there is a so-called circularity problem in
the direct use of GRBs. Recently, a new idea to calibrate GRBs in a completely
cosmology independent manner has been proposed, and the circularity problem can
be solved. In the present work, following the method proposed by Liang {\it et
al.}, we calibrate 70 GRBs with the Amati relation using 307 SNIa. Then,
following the method proposed by Shafieloo {\it et al.}, we smoothly
reconstruct the cosmic expansion history up to redshift with the
calibrated GRBs. We find some new features in the reconstructed results.Comment: 12 pages, 4 figures, 1 table, revtex4; v2: title changed, accepted by
Eur. Phys. J. C; v3: published versio
- …