5,117 research outputs found
Nanocrystalline semiconductors: synthesis, properties, and perspectives
The preparation of hollow particles of ZnO by calcination of hydrozincite coated poly(styrene)
beads is reported. Synthetic studies have been performed on such polymer/inorganic composite
precursors in order to establish the optimum conditions for the preparation of the ZnO particles. The
morphological properties of the powders were characterised by optical microscopy and scanning
electron microscopy. The micrometric ZnO particles show morphological characteristics related to the
template used in their preparation
Half Semimetallic Antiferromagnetism in the SrCrTO System, T=Os, Ru
Double perovskite SrCrOsO is (or is very close to) a realization of a
spin-asymmetric semimetallic compensated ferrimagnet, according to first
principles calculations. This type of near-half metallic antiferromagnet is an
unusual occurrence, and more so in this compound because the zero gap is
accidental rather than being symmetry determined. The large spin-orbit coupling
(SOC) of osmium upsets the spin balance (no net spin moment without SOC): it
reduces the Os spin moment by 0.27 and induces an Os orbital moment of
0.17 in the opposite direction. The effects combine (with small oxygen
contributions) to give a net total moment of 0.54 per cell in \scoo,
reflecting a large impact of SOC in this compound. This value is in moderately
good agreement with the measured saturation moment of 0.75 . The value
of the net moment on the Os ion obtained from neutron diffraction (0.73
at low temperature) differs from the calculated value (1.14 ). Rather
surprisingly, in isovalent SrCrRuO the smaller SOC-induced spin changes
and orbital moments (mostly on Ru) almost exactly cancel. This makes
SrCrRuO a "half (semi)metallic antiferromagnet" (practically vanishing
net total moment) even when SOC is included, with the metallic channel being a
small-band-overlap semimetal. Fixed spin moment (FSM) calculations are
presented for each compound, illustrating how they provide different
information than in the case of a nonmagnetic material. These FSM results
indicate that the Cr moment is an order of magnitude stiffer against
longitudinal fluctuations than is the Os moment.Comment: 6 page
Disproportionation Transition at Critical Interaction Strength: NaCoO
Charge disproportionation (CD) and spin differentiation in NaCoO
are studied using the correlated band theory approach. The simultaneous CD and
gap opening seen previously is followed through a first order charge
disproportionation transition 2Co Co+Co, whose ionic
identities are connected more closely to spin (S=0, S=1/2 respectively) than to
real charge. Disproportionation in the Co orbital is compensated by
opposing charge rearrangement in other 3d orbitals. At the transition large and
opposing discontinuities in the (all-electron) kinetic and potential energies
are slightly more than balanced by a gain in correlation energy. The CD state
is compared to characteristics of the observed charge-ordered insulating phase
in NaCoO, suggesting the Coulomb repulsion value is
concentration-dependent, with 3.5 eV.Comment: 4 pages and 4 embedded figure
Origin of Superconductivity in Boron-doped Diamond
Superconductivity of boron-doped diamond, reported recently at T_c=4 K, is
investigated exploiting its electronic and vibrational analogies to MgB2. The
deformation potential of the hole states arising from the C-C bond stretch mode
is 60% larger than the corresponding quantity in MgB2 that drives its high Tc,
leading to very large electron-phonon matrix elements. The calculated coupling
strength \lambda ~ 0.5 leads to T_c in the 5-10 K range and makes phonon
coupling the likely mechanism. Higher doping should increase T_c somewhat, but
effects of three dimensionality primarily on the density of states keep doped
diamond from having a T_c closer to that of MgB2.Comment: Four pages with two embedded figures, corrected fig1. (To appear in
Physical Review Letters(2004)
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