6,709 research outputs found
Computer Program for the Calculation of Multicomponent Convective Diffusion Deposition Rates from Chemically Frozen Boundary Layer Theory
The computer program based on multicomponent chemically frozen boundary layer (CFBL) theory for calculating vapor and/or small particle deposition rates is documented. A specific application to perimter-averaged Na2SO4 deposition rate calculations on a cylindrical collector is demonstrated. The manual includes a typical program input and output for users
Determining the Quark Mixing Matrix From CP-Violating Asymmetries
If the Standard Model explanation of CP violation is correct, then
measurements of CP-violating asymmetries in meson decays can in principle
determine the entire quark mixing matrix.Comment: 8 pages (plain TeX), 1 figure (postscript file appended), DAPNIA/SPP
94-06, NSF-PT-94-2, UdeM-LPN-TH-94-18
Tensor charges of light baryons in the Infinite Momentum Frame
We have used the Chiral-Quark Soliton Model formulated in the Infinite
Momentum Frame to investigate the octet, decuplet and antidecuplet tensor
charges up to the 5Q level. Using flavor SU(3) symmetry we have obtained for
the proton and in fair agreement previous
model estimations. The 5Q allowed us to estimate also the strange contribution
to the proton tensor charge . All those values have been
obtained at the model scale Q^2=0.36 GeV^2.Comment: 16 pages, 5 figure
Theoretical search for superconductivity in Sc3XB perovskites and weak ferromagnetism in Sc3X (X = Tl, In, Ga, Al)
A possibility for a new family of intermetallic perovskite superconductors
Sc3XB, with X = Tl, In, Ga and Al, is presented as a result of KKR electronic
structure and pseudopotential phonon calculations. The large values of computed
McMillan--Hopfield parameters on scandium suggest appearance of
superconductivity in Sc3XB compounds. On the other hand, the possibility of
weak itinerant ferromagnetic behavior of Sc3X systems is indicated by the small
magnetic moment on Sc atoms in two cases of X =~ l and In. Also the electronic
structure and resulting superconducting parameters for more realistic case of
boron--deficient systems Sc3XB_x are computed using KKR--CPA method, by
replacing boron atom with a vacancy. The comparison of the calculated
McMillan--Hopfield parameters of the Sc3XB series with corresponding values in
MgCNi3 and YRh3B superconductors is given, finding the favorable trends for
superconductivity.Comment: 13 pages, 13 figures. v3 - revise
Superconductivity in the New Platinum Germanides MPt4Ge12 (M = Rare-earth and Alkaline-earth Metals) with Filled Skutterudite Structure
New germanium-platinum compounds with the filled-skutterudite crystal
structure were synthesized. The structure and composition were investigated by
X-ray diffraction and microprobe analysis. Magnetic susceptibility, specific
heat, and electrical resistivity measurements evidence superconductivity in
LaPt4Ge12 and PrPt4Ge12 below 8.3K. The parameters of the normal and
superconducting states were established. Strong coupling and a crystal electric
field singlet groundstate is found for the Pr compound. Electronic structure
calculations show a large density of states at the Fermi level. Similar
behavior with lower T_c was observed for SrPt4Ge12 and BaPt4Ge12.Comment: RevTeX, 4 figures, submitted to Physical Review Letters July 12, 200
Interplay of atomic displacements in the quantum magnet (CuCl)LaNb2O7
We report on the crystal structure of the quantum magnet (CuCl)LaNb2O7 that
was controversially described with respect to its structural organization and
magnetic behavior. Using high-resolution synchrotron powder x-ray diffraction,
electron diffraction, transmission electron microscopy, and band structure
calculations, we solve the room-temperature structure of this compound
[alpha-(CuCl)LaNb2O7] and find two high-temperature polymorphs. The
gamma-(CuCl)LaNb2O7 phase, stable above 640K, is tetragonal with a(sub) = 3.889
A, c(sub) = 11.738 A, and the space group P4/mmm. In the gamma-(CuCl)LaNb2O7
structure, the Cu and Cl atoms are randomly displaced from the special
positions along the {100} directions. The beta-phase [a(sub) x 2a(sub) x
c(sub), space group Pbmm] and the alpha-phase [2a(sub) x 2a(sub) x c(sub),
space group Pbam] are stable between 640 K and 500 K and below 500 K,
respectively. The structural changes at 500 K and 640 K are identified as
order-disorder phase transitions. The displacement of the Cl atoms is frozen
upon the gamma --> beta transformation, while a cooperative tilting of the NbO6
octahedra in the alpha-phase further eliminates the disorder of the Cu atoms.
The low-temperature alpha-(CuCl)LaNb2O7 structure thus combines the two types
of the atomic displacements that interfere due to the bonding between the Cu
atoms and the apical oxygens of the NbO6 octahedra. The precise structural
information resolves the controversy between the previous computation-based
models and provides the long-sought input for understanding the magnetic
properties of (CuCl)LaNb2O7.Comment: 12 pages, 10 figures, 5 tables; crystallographic information (cif
files) include
Comparative investigation of the coupled-tetrahedra quantum spin systems Cu2Te2O5X2, X=Cl, Br and Cu4Te5O12Cl4
We present a comparative study of the coupled-tetrahedra quantum spin systems
Cu2Te2O5X2, X=Cl, Br (Cu-2252(X)) and the newly synthesized Cu4Te5O12Cl4
(Cu-45124(Cl)) based on ab initio Density Functional Theory calculations. The
magnetic behavior of Cu-45124(Cl) with a phase transition to an ordered state
at a lower critical temperature T=13.6K than in Cu-2252(Cl) (T=18K) can
be well understood in terms of the modified interaction paths. We identify the
relevant structural changes between the two systems and discuss the
hypothetical behavior of the not yet synthesized Cu-45124(Br) with an ab initio
relaxed structure using Car-Parrinello Molecular Dynamics.Comment: 2 pages, 1 figure; submitted to Proceedings of M2S-HTSC VIII, Dresden
200
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