19,469 research outputs found
Electronic Structures of Antiperovskite Superconductor MgCNi and Related Compounds
Electronic structure of a newly discovered antiperovskite superconductor
MgCNi is investigated by using the LMTO band method. The main contribution
to the density of states (DOS) at the Fermi energy comes from Ni
3 states which are hybridized with C 2 states. The DOS at is
varied substantially by the hole or electron doping due to the very high and
narrow DOS peak located just below . We have also explored
electronic structures of C-site and Mg-site doped MgCNi systems, and
described the superconductivity in terms of the conventional phonon mechanism.Comment: 3 pages, presented at ORBITAL2001 September 11-14, 2001 (Sendai,
JAPAN
Electronic structures of antiperovskite superconductors: MgXNi (X=B,C,N)
We have investigated electronic structures of a newly discovered
antiperovskite superconductor MgCNi and related compounds MgBNi and
MgNNi. In MgCNi, a peak of very narrow and high density of states is
located just below , which corresponds to the antibonding
state of Ni-3d and C- but with the predominant Ni-3d character. The
prominent nesting feature is observed in the -centered electron Fermi
surface of an octahedron-cage-like shape that originates from the 19th band.
The estimated superconducting parameters based on the simple rigid-ion
approximation are in reasonable agreement with experiment, suggesting that the
superconductivity in MgCNi is described well by the conventional phonon
mechanism.Comment: 5 pages, 5 figure
Electronic structure of metallic antiperovskite compound GaCMn
We have investigated electronic structures of antiperovskite GaCMn and
related Mn compounds SnCMn, ZnCMn, and ZnNMn. In the paramagnetic
state of GaCMn, the Fermi surface nesting feature along the
direction is observed, which induces the antiferromagnetic (AFM) spin ordering
with the nesting vector {\bf Q} . Calculated
susceptibilities confirm the nesting scenario for GaCMn and also explain
various magnetic structures of other antiperovskite compounds. Through the band
folding effect, the AFM phase of GaCMn is stabilized. Nearly equal
densities of states at the Fermi level in the ferromagnetic and AFM phases of
GaCMn indicate that two phases are competing in the ground state.Comment: 4 pages, 5 figure
Electronic structures of doped anatase : (M=Co, Mn, Fe, Ni)
We have investigated electronic structures of a room temperature diluted
magnetic semiconductor : Co-doped anatase . We have obtained the
half-metallic ground state in the local-spin-density approximation(LSDA) but
the insulating ground state in the LSDA++SO incorporating the spin-orbit
interaction. In the stoichiometric case, the low spin state of Co is realized
with the substantially large orbital moment. However, in the presence of oxygen
vacancies near Co, the spin state of Co becomes intermediate. The
ferromagnetisms in the metallic and insulating phases are accounted for by the
double-exchange-like and the superexchange mechanism, respectively. Further,
the magnetic ground states are obtained for Mn and Fe doped ,
while the paramagnetic ground state for Ni-doped .Comment: 5 pages, 4 figure
Astronomy in the Cloud: Using MapReduce for Image Coaddition
In the coming decade, astronomical surveys of the sky will generate tens of
terabytes of images and detect hundreds of millions of sources every night. The
study of these sources will involve computation challenges such as anomaly
detection and classification, and moving object tracking. Since such studies
benefit from the highest quality data, methods such as image coaddition
(stacking) will be a critical preprocessing step prior to scientific
investigation. With a requirement that these images be analyzed on a nightly
basis to identify moving sources or transient objects, these data streams
present many computational challenges. Given the quantity of data involved, the
computational load of these problems can only be addressed by distributing the
workload over a large number of nodes. However, the high data throughput
demanded by these applications may present scalability challenges for certain
storage architectures. One scalable data-processing method that has emerged in
recent years is MapReduce, and in this paper we focus on its popular
open-source implementation called Hadoop. In the Hadoop framework, the data is
partitioned among storage attached directly to worker nodes, and the processing
workload is scheduled in parallel on the nodes that contain the required input
data. A further motivation for using Hadoop is that it allows us to exploit
cloud computing resources, e.g., Amazon's EC2. We report on our experience
implementing a scalable image-processing pipeline for the SDSS imaging database
using Hadoop. This multi-terabyte imaging dataset provides a good testbed for
algorithm development since its scope and structure approximate future surveys.
First, we describe MapReduce and how we adapted image coaddition to the
MapReduce framework. Then we describe a number of optimizations to our basic
approach and report experimental results comparing their performance.Comment: 31 pages, 11 figures, 2 table
Charge and Orbital Ordering and Spin State Transition Driven by Structural Distortion in YBaCo_2O_5
We have investigated electronic structures of antiferromagnetic YBaCo_2O_5
using the local spin-density approximation (LSDA) + U method. The charge and
orbital ordered insulating ground state is correctly obtained with the strong
on-site Coulomb interaction. Co^{2+} and Co^{3+} ions are found to be in the
high spin (HS) and intermediate spin (IS) state, respectively. It is considered
that the tetragonal to orthorhombic structural transition is responsible for
the ordering phenomena and the spin states of Co ions. The large contribution
of the orbital moment to the total magnetic moment indicates that the
spin-orbit coupling is also important in YBaCo_2O_5.Comment: 4 pages including 4 figures, Submitted to Phys. Rev. Let
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