6,782 research outputs found
Dynamic Stabilization of Cubic AuZn
A recently developed temperature-dependent effective potential method is employed to study the martensitic phase transformation in AuZn. This method is based on ab initio molecular dynamics and allows to obtain finite-temperature lattice vibrational properties. We show that the transversal acoustic TA_2[110] mode associated with the phase transition is stabilized at 300 K. Temperature evolution of single-phonon dynamic structure factor at the wave vector q=1/3[1,1,0], associated with phonon softening and Fermi surface nesting, was also studied
Correlation effects and orbital magnetism of Co clusters
Recent experiments on isolated Co clusters have shown huge orbital magnetic
moments in comparison with their bulk and surface counterparts. These clusters
hence provide the unique possibility to study the evolution of the orbital
magnetic moment with respect to the cluster size and how competing interactions
contribute to the quenching of orbital magnetism. We investigate here different
theoretical methods to calculate the spin and orbital moments of Co clusters,
and assess the performances of the methods in comparison with experiments. It
is shown that density functional theory in conventional local density or
generalized gradient approximations, or even with a hybrid functional, severely
underestimates the orbital moment. As natural extensions/corrections we
considered the orbital polarization correction, the LDA+U approximation as well
as the LDA+DMFT method. Our theory shows that of the considered methods, only
the LDA+DMFT method provides orbital moments in agreement with experiment, thus
emphasizing the importance of dynamic correlations effects for determining
fundamental magnetic properties of magnets in the nano-size regime
Oscillator Strengths and Damping Constants for Atomic Lines in the J and H Bands
We have built a line list in the near-infrared J and H bands (1.00-1.34,
1.49-1.80 um) by gathering a series of laboratory and computed line lists.
Oscillator strengths and damping constants were computed or obtained by fitting
the solar spectrum.
The line list presented in this paper is, to our knowledge, the most complete
one now available, and supersedes previous lists.Comment: Accepted, Astrophysical Journal Supplement, tentatively scheduled for
the Sep. 1999 Vol. 124 #1 issue. Text and tables also available at
http://www.iagusp.usp.br/~jorge
The Chevreton Tensor and Einstein-Maxwell Spacetimes Conformal to Einstein Spaces
In this paper we characterize the source-free Einstein-Maxwell spacetimes
which have a trace-free Chevreton tensor. We show that this is equivalent to
the Chevreton tensor being of pure-radiation type and that it restricts the
spacetimes to Petrov types \textbf{N} or \textbf{O}. We prove that the trace of
the Chevreton tensor is related to the Bach tensor and use this to find all
Einstein-Maxwell spacetimes with a zero cosmological constant that have a
vanishing Bach tensor. Among these spacetimes we then look for those which are
conformal to Einstein spaces. We find that the electromagnetic field and the
Weyl tensor must be aligned, and in the case that the electromagnetic field is
null, the spacetime must be conformally Ricci-flat and all such solutions are
known. In the non-null case, since the general solution is not known on closed
form, we settle with giving the integrability conditions in the general case,
but we do give new explicit examples of Einstein-Maxwell spacetimes that are
conformal to Einstein spaces, and we also find examples where the vanishing of
the Bach tensor does not imply that the spacetime is conformal to a -space.
The non-aligned Einstein-Maxwell spacetimes with vanishing Bach tensor are
conformally -spaces, but none of them are conformal to Einstein spaces.Comment: 22 pages. Corrected equation (12
About the strength of correlation effects in the electronic structure of iron
The strength of electronic correlation effects in the spin-dependent
electronic structure of ferromagnetic bcc Fe(110) has been investigated by
means of spin and angle-resolved photoemission spectroscopy. The experimental
results are compared to theoretical calculations within the three-body
scattering approximation and within the dynamical mean-field theory, together
with one-step model calculations of the photoemission process. This comparison
indicates that the present state of the art many-body calculations, although
improving the description of correlation effects in Fe, give too small mass
renormalizations and scattering rates thus demanding more refined many-body
theories including non-local fluctuations.Comment: 4 pages, 4 figure
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